Vitas-M small molecule compound

methyl 4,5-dimethyl-2-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylate

Catalog ID
STK474752
SMILES COC(=O)c1c(NC(=O)CSc2nncn2C)sc(c1C)C

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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 C13H16N4O3S2 MW 340.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4O3S2/c1-7-8(2)22-11(10(7)12(19)20-4)15-9(18)5-21-13-16-14-6-17(13)3/h6H,5H2,1-4H3,(H,15,18)
InChIKey
IFRRDWVWYPSQFF-UHFFFAOYSA-N
Synonyms

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=CN2C)C
InChI=1SC13H16N4O3S2c178(2)2211(10(7)12(19)204)159(18)521131614617(13)3h6H5H214H3(H1518)
methyl45dimethyl2((((4methyl4H124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
METHYL45DIMETHYL2((2((4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL45DIMETHYL2(2(4METHYL(124TRIAZOL3YLTHIO))ACETYLAMINO)THIOPHENE3CARBOXYLATE
MFCD04779068
ZINC000003396503
ZINC03396503
ZINC3396503

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Available files

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