Vitas-M small molecule compound
ethyl 4-{3-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STK186500
SMILES CCOC(=O)c1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)/C=C(/C(=O)NCc1ccccc1)\C#N
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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 C36H29N3O3 MW 551.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H29N3O3/c1-2-42-36(41)29-18-20-32(21-19-29)39-33(27-14-8-4-9-15-27)23-30(34(39)28-16-10-5-11-17-28)22-31(24-37)35(40)38-25-26-12-6-3-7-13-26/h3-23H,2,25H2,1H3,(H,38,40)/b31-22+InChIKey
UEQUJSWGFQIVIO-DFKUXCBWSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=C(C#N)C(=O)NCC4=CC=CC=C4)C5=CC=CC=C5
CCOC(=O)c1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)C=C(C(=O)NCc1ccccc1)C#N
ETHYL4(3((1E)3(BENZYLAMINO)2CYANO3OXOPROP1EN1YL)25DIPHENYL1HPYRROL1YL)BENZOATE
ethyl4(3((E)3(benzylamino)2cyano3oxoprop1enyl)25diphenylpyrrol1yl)benzoate
InChI=1SC36H29N3O3c124236(41)29182032(211929)3933(27148491527)2330(34(39)2816105111728)2231(2437)35(40)382526126371326h323H225H21H3(H3840)b3122+
MFCD02378988
ZINC000097960794
ZINC97960794
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