Vitas-M small molecule compound
4-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]-2-ethoxyphenyl thiophene-2-carboxylate
Catalog ID
STK513875
SMILES CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1
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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 C31H25N3O7S MW 583.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N3O7S/c1-2-38-27-17-21(11-13-25(27)41-31(37)28-9-6-14-42-28)18-32-34-30(36)23(33-29(35)22-7-4-3-5-8-22)15-20-10-12-24-26(16-20)40-19-39-24/h3-18H,2,19H2,1H3,(H,33,35)(H,34,36)/b23-15+,32-18+InChIKey
CGGFKKVPZOFIJC-BZYAUTJXSA-NSynonyms
(4((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)2ethoxyphenyl)thiophene2carboxylate
4((E)(2((2E)3(13benzodioxol5yl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)2ethoxyphenylthiophene2carboxylate
CCOC1=C(C=CC(=C1)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CS5
CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1
InChI=1SC31H25N3O7Sc1238271721(111325(27)4131(37)2896144228)18323430(36)23(3329(35)227435822)152010122426(1620)40193924h318H219H21H3(H3335)(H3436)b2315+3218+
MFCD01129436
ZINC000097964206
ZINC102276302
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