Vitas-M small molecule compound
methyl 5-carbamoyl-4-methyl-2-[({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate
Catalog ID
STK454644
SMILES COC(=O)c1c(NC(=O)CSc2nnc(n2C)c2cccs2)sc(c1C)C(=O)N
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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 C17H17N5O4S3 MW 451.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O4S3/c1-8-11(16(25)26-3)15(29-12(8)13(18)24)19-10(23)7-28-17-21-20-14(22(17)2)9-5-4-6-27-9/h4-6H,7H2,1-3H3,(H2,18,24)(H,19,23)InChIKey
XRKMJRQTJYAMTA-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2C)C3=CC=CS3)C(=O)N
InChI=1SC17H17N5O4S3c1811(16(25)263)15(2912(8)13(18)24)1910(23)72817212014(22(17)2)9546279h46H7H213H3(H21824)(H1923)
methyl5carbamoyl4methyl2((((4methyl5(thiophen2yl)4H124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
methyl5carbamoyl4methyl2((2((4methyl5thiophen2yl124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
METHYL5CARBAMOYL4METHYL2(2(4METHYL5(2THIENYL)(124TRIAZOL3YLTHIO))ACETYLAMINO)THIOPHENE3CARBOXYLATE
MFCD04227579
ZINC000020295046
ZINC20295046
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