Vitas-M small molecule compound
ethyl 2-({[4-({(Z)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK967717
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2)N/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)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 C30H28N4O6S MW 572.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O6S/c1-3-40-29(38)24-21-6-4-5-7-23(21)41-27(24)32-25(35)18-10-12-19(13-11-18)31-16-22-26(36)33-30(39)34(28(22)37)20-14-8-17(2)9-15-20/h8-16,31H,3-7H2,1-2H3,(H,32,35)(H,33,36,39)/b22-16-InChIKey
QZSUZIVUSZACJM-JWGURIENSA-NSynonyms
444924-16-7444924167
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)NC=C4C(=O)NC(=O)N(C4=O)C5=CC=C(C=C5)C
CCOC(=O)c1c(NC(=O)c2ccc(cc2)NC=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)C)sc2c1CCCC2
ethyl2(((4(((Z)(1(4methylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)phenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((4(((Z)(1(4methylphenyl)246trioxo13diazinan5ylidene)methyl)amino)benzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC30H28N4O6Sc134029(38)2421645723(21)4127(24)3225(35)18101219(131118)31162226(36)3330(39)34(28(22)37)2014817(2)91520h81631H37H212H3(H3235)(H333639)b2216
MFCD02606081
ZINC000008455944
ZINC08455944
ZINC8455944
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.