Vitas-M small molecule compound
(2E)-3-[1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
Catalog ID
STK061565
SMILES COc1ccc(cc1)NC(=O)/C(=C/c1cc(n(c1C)c1ccc(cc1)C(C)(C)C)C)/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 C27H29N3O2 MW 427.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2/c1-18-15-20(19(2)30(18)24-11-7-22(8-12-24)27(3,4)5)16-21(17-28)26(31)29-23-9-13-25(32-6)14-10-23/h7-16H,1-6H3,(H,29,31)/b21-16+InChIKey
DHVHTPJUFLSTBV-LTGZKZEYSA-NSynonyms
(2E)3(1(4(TERTBUTYL)PHENYL)25DIMETHYLPYRROL3YL)2CYANON(4METHOXYPHENYL)PROP2ENAMIDE
(2E)3(1(4TERTBUTYLPHENYL)25DIMETHYL1HPYRROL3YL)2CYANON(4METHOXYPHENYL)PROP2ENAMIDE
(E)3(1(4TERTBUTYLPHENYL)25DIMETHYLPYRROL3YL)2CYANON(4METHOXYPHENYL)PROP2ENAMIDE
CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)C=C(C#N)C(=O)NC3=CC=C(C=C3)OC
COc1ccc(cc1)NC(=O)C(=Cc1cc(n(c1C)c1ccc(cc1)C(C)(C)C)C)C#N
InChI=1SC27H29N3O2c1181520(19(2)30(18)2411722(81224)27(34)5)1621(1728)26(31)292391325(326)141023h716H16H3(H2931)b2116+
MFCD02067016
STK061565
ZINC000004047725
ZINC04047725
ZINC4047725
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