Vitas-M small molecule compound
3-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]phenyl thiophene-2-carboxylate
Catalog ID
STK042390
SMILES O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/c1cccc(c1)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(21-7-2-1-3-8-21)31-23(15-19-11-12-24-25(16-19)37-18-36-24)28(34)32-30-17-20-6-4-9-22(14-20)38-29(35)26-10-5-13-39-26/h1-17H,18H2,(H,31,33)(H,32,34)/b23-15+,30-17+InChIKey
WIDBRQCTRZGPDG-IOBQLMQHSA-NSynonyms
(3((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)phenyl)thiophene2carboxylate
3((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(=CC=C3)OC(=O)C4=CC=CS4)NC(=O)C5=CC=CC=C5
InChI=1SC29H21N3O6Sc3327(217213821)3123(151911122425(1619)37183624)28(34)3230172064922(1420)3829(35)26105133926h117H18H2(H3133)(H3234)b2315+3017+
MFCD01129437
O=C(C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)NN=Cc1cccc(c1)OC(=O)c1cccs1
STK042390
ZINC000097958564
ZINC101429416
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