Vitas-M small molecule compound
methyl 2-({oxo[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL006835
SMILES COC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccnc2)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 C18H18N4O4S MW 386.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O4S/c1-26-18(25)14-12-6-2-3-7-13(12)27-17(14)21-15(23)16(24)22-20-10-11-5-4-8-19-9-11/h4-5,8-10H,2-3,6-7H2,1H3,(H,21,23)(H,22,24)/b20-10+InChIKey
RQDKGFCVKDMISN-KEBDBYFISA-NSynonyms
847244-08-0(E)methyl2(2oxo2(2(pyridin3ylmethylene)hydrazinyl)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
847244080
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)NN=CC3=CN=CC=C3
COC(=O)c1c(NC(=O)C(=O)NN=Cc2cccnc2)sc2c1CCCC2
InChI=1SC18H18N4O4Sc12618(25)1412623713(12)2717(14)2115(23)16(24)2220101154819911h45810H2367H21H3(H2123)(H2224)b2010+
methyl2((2oxo2((2E)2(pyridin3ylmethylidene)hydrazinyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((oxo((2E)2(pyridin3ylmethylidene)hydrazinyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03887806
ZINC000002441443
ZINC33370479
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