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7-[({5-[(2-chloro-4-nitrophenoxy)methyl]furan-2-yl}carbonyl)amino]-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Catalog ID
STK288959
SMILES O=C1C(NC(=O)c2ccc(o2)COc2ccc(cc2Cl)[N+](=O)[O-])C2N1C(=C(CS2)CSc1nnc(s1)C)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 C23H18ClN5O8S3 MW 624.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN5O8S3/c1-10-26-27-23(40-10)39-9-11-8-38-21-17(20(31)28(21)18(11)22(32)33)25-19(30)16-5-3-13(37-16)7-36-15-4-2-12(29(34)35)6-14(15)24/h2-6,17,21H,7-9H2,1H3,(H,25,30)(H,32,33)
InChIKey
WYCIBBXVFUEMMD-UHFFFAOYSA-N
Synonyms
832139-67-0
7(((5((2chloro4nitrophenoxy)methyl)furan2yl)carbonyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((5((2CHLORO4NITROPHENOXY)METHYL)FURAN2CARBONYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
832139670
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C4=CC=C(O4)COC5=C(C=C(C=C5)(N+)(=O)(O))Cl)SC2)C(=O)O
InChI=1SC23H18ClN5O8S3c110262723(4010)399118382117(20(31)28(21)18(11)22(32)33)2519(30)165313(3716)736154212(29(34)35)614(15)24h261721H79H21H3(H2530)(H3233)
MFCD04052860
O=C1C(NC(=O)c2ccc(o2)COc2ccc(cc2Cl)(N+)(=O)(O))C2N1C(=C(CS2)CSc1nnc(s1)C)C(=O)O
ZINC000150385875
ZINC000150385878

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Available files

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