Vitas-M small molecule compound
4-[(E)-(2-{(2Z)-3-[4-(dimethylamino)phenyl]-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]-2-methoxyphenyl thiophene-2-carboxylate
Catalog ID
STK513931
SMILES COc1cc(/C=N/NC(=O)/C(=C/c2ccc(cc2)N(C)C)/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 C31H28N4O5S MW 568.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O5S/c1-35(2)24-14-11-21(12-15-24)18-25(33-29(36)23-8-5-4-6-9-23)30(37)34-32-20-22-13-16-26(27(19-22)39-3)40-31(38)28-10-7-17-41-28/h4-20H,1-3H3,(H,33,36)(H,34,37)/b25-18-,32-20+InChIKey
SEOXUHOYBNGGIV-BHYVTDRBSA-NSynonyms
(4((E)(((Z)2benzamido3(4(dimethylamino)phenyl)prop2enoyl)hydrazinylidene)methyl)2methoxyphenyl)thiophene2carboxylate
4((E)(2((2Z)3(4(dimethylamino)phenyl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)2methoxyphenylthiophene2carboxylate
CN(C)C1=CC=C(C=C1)C=C(C(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CS3)OC)NC(=O)C4=CC=CC=C4
COc1cc(C=NNC(=O)C(=Cc2ccc(cc2)N(C)C)NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1
InChI=1SC31H28N4O5Sc135(2)24141121(121524)1825(3329(36)238546923)30(37)34322022131626(27(1922)393)4031(38)28107174128h420H13H3(H3336)(H3437)b25183220+
MFCD13370524
ZINC000097964232
ZINC102277855
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