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(6R,7R)-7-amino-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Catalog ID
STL525608
SMILES O=C1[C@@H](N)[C@@H]2N1C(=C(CS2)CSc1nc(=O)c(=O)[nH]n1C)C(=O)O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C12H13N5O5S2 MW 371.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N5O5S2/c1-16-12(14-7(18)8(19)15-16)24-3-4-2-23-10-5(13)9(20)17(10)6(4)11(21)22/h5,10H,2-3,13H2,1H3,(H,15,19)(H,21,22)/t5-,10-/m1/s1
InChIKey
YTUNICCSPPTMJY-GPXNAGAYSA-N
Synonyms
58909-56-1
(6~(R)7~(R))7amino3((2methyl56dioxo1~(H)124triazin3yl)sulfanylmethyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
(6R7R)7AMINO3(((25DIHYDRO6HYDROXY2METHYL5OXOASTRIAZIN3YL)THIO)METHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
(6R7R)7amino3(((2methyl56dioxo1256tetrahydro124triazin3yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
(6R7R)7amino3(((2methyl56dioxo1256tetrahydro124triazin3yl)thio)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
(6R7R)7AMINO3((2METHYL56DIOXO1H124TRIAZIN3YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
(6R7R)7AMINO3((6HYDROXY2METHYL5OXO25DIHYDRO124TRIAZIN3YLTHIO)METHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
58909561
6351062
7AMINO3(((25DIHYDRO6HYDROXY2METHYL5OXO124TRIAZIN3YL)THIO)METHYL)CEPHALOSPORANICACID
7BETAAMINO3((25DIHYDRO6HYDROXY2METHYL5OXO124TRIAZIN3YL)THIOMETHYL)CEPH3EM4CARBOXYLICACID
CEFTRIAXONEIMPURITYE
InChI=1SC12H13N5O5S2c11612(147(18)8(19)1516)2434223105(13)9(20)17(10)6(4)11(21)22h510H2313H21H3(H1519)(H2122)t510m1s1
MFCD01543288
O=C1(C@@H)(N)(C@@H)2N1C(=C(CS2)CSc1nc(=O)c(=O)(nH)n1C)C(=O)O
ZINC000012652346
ZINC12652346

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Available files

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