Vitas-M small molecule compound

methyl 4-{[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]methyl}benzoate

Catalog ID
STK757847
SMILES COC(=O)c1ccc(cc1)CSc1nnc2n1ncn2N

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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 C12H12N6O2S MW 304.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N6O2S/c1-20-10(19)9-4-2-8(3-5-9)6-21-12-16-15-11-17(13)7-14-18(11)12/h2-5,7H,6,13H2,1H3
InChIKey
SHJFFIWSXLTUCX-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)CSC2=NN=C3N2N=CN3N
InChI=1SC12H12N6O2Sc12010(19)9428(359)6211216151117(13)71418(11)12h257H613H21H3
methyl4(((7amino7H(124)triazolo(43b)(124)triazol3yl)sulfanyl)methyl)benzoate
METHYL4((7AMINO(124)TRIAZOLO(43B)(124)TRIAZOL3YL)SULFANYLMETHYL)BENZOATE
METHYL4((7AMINO124TRIAZOLO(45D)124TRIAZOLIN3YLTHIO)METHYL)BENZOATE
MFCD01305119
ZINC000000036438
ZINC00036438
ZINC36438

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.