Vitas-M small molecule compound
methyl 2-[({[4-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate
Catalog ID
STK439853
SMILES COC(=O)c1ccsc1NC(=O)CSc1nnc(n1CC)c1csc2c1CCCC2
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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 C20H22N4O3S3 MW 462.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3S3/c1-3-24-17(14-10-29-15-7-5-4-6-12(14)15)22-23-20(24)30-11-16(25)21-18-13(8-9-28-18)19(26)27-2/h8-10H,3-7,11H2,1-2H3,(H,21,25)InChIKey
GKVXLYNZSHZPIV-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C=CS2)C(=O)OC)C3=CSC4=C3CCCC4
InChI=1SC20H22N4O3S3c132417(14102915754612(14)15)222320(24)301116(25)211813(892818)19(26)272h810H3711H212H3(H2125)
methyl2((((4ethyl5(4567tetrahydro1benzothiophen3yl)4H124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
methyl2((2((4ethyl5(4567tetrahydro1benzothiophen3yl)124triazol3yl)sulfanyl)acetyl)amino)thiophene3carboxylate
MFCD03946040
ZINC000020214293
ZINC20214293
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