Vitas-M small molecule compound
methyl 2-[({[4-ethyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK473736
SMILES COC(=O)c1c(NC(=O)CSc2nnc(n2CC)Cc2cccs2)sc2c1CCCC2
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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 C21H24N4O3S3 MW 476.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O3S3/c1-3-25-16(11-13-7-6-10-29-13)23-24-21(25)30-12-17(26)22-19-18(20(27)28-2)14-8-4-5-9-15(14)31-19/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,22,26)InChIKey
SJQGPSCUPAQBNF-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)CC4=CC=CS4
InChI=1SC21H24N4O3S3c132516(111376102913)232421(25)301217(26)221918(20(27)282)14845915(14)3119h6710H35891112H212H3(H2226)
methyl2((((4ethyl5(thiophen2ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2((4ethyl5(thiophen2ylmethyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD06139885
ZINC000020214250
ZINC20214250
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