Vitas-M small molecule compound
4-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]phenyl thiophene-2-carboxylate
Catalog ID
STK066493
SMILES O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/c1ccc(cc1)OC(=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 C29H21N3O6S MW 539.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N3O6S/c33-27(21-5-2-1-3-6-21)31-23(15-20-10-13-24-25(16-20)37-18-36-24)28(34)32-30-17-19-8-11-22(12-9-19)38-29(35)26-7-4-14-39-26/h1-17H,18H2,(H,31,33)(H,32,34)/b23-15+,30-17+InChIKey
IYNBSVZIMUQYQE-IOBQLMQHSA-NSynonyms
(4((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)phenyl)thiophene2carboxylate
4((E)(2((2E)3(13BENZODIOXOL5YL)2((PHENYLCARBONYL)AMINO)PROP2ENOYL)HYDRAZINYLIDENE)METHYL)PHENYLTHIOPHENE2CARBOXYLATE
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NN=CC3=CC=C(C=C3)OC(=O)C4=CC=CS4)NC(=O)C5=CC=CC=C5
InChI=1SC29H21N3O6Sc3327(215213621)3123(152010132425(1620)37183624)28(34)3230171981122(12919)3829(35)2674143926h117H18H2(H3133)(H3234)b2315+3017+
MFCD01129434
O=C(C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)NN=Cc1ccc(cc1)OC(=O)c1cccs1
STK066493
ZINC000097958868
ZINC101464957
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