Vitas-M small molecule compound
(2E)-3-[1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(5-chloro-2-methylphenyl)-2-cyanoprop-2-enamide
Catalog ID
STK106221
SMILES N#C/C(=C\c1cc(n(c1C)c1ccc(cc1)C(C)(C)C)C)/C(=O)Nc1cc(Cl)ccc1C
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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 C27H28ClN3O MW 445.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O/c1-17-7-10-23(28)15-25(17)30-26(32)21(16-29)14-20-13-18(2)31(19(20)3)24-11-8-22(9-12-24)27(4,5)6/h7-15H,1-6H3,(H,30,32)/b21-14+InChIKey
PMDHTHRHAPOBQV-KGENOOAVSA-NSynonyms
(2E)3(1(4TERTBUTYLPHENYL)25DIMETHYL1HPYRROL3YL)N(5CHLORO2METHYLPHENYL)2CYANOPROP2ENAMIDE
(E)3(1(4TERTBUTYLPHENYL)25DIMETHYLPYRROL3YL)N(5CHLORO2METHYLPHENYL)2CYANOPROP2ENAMIDE
CC1=C(C=C(C=C1)Cl)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C(C)(C)C)C)C#N
InChI=1SC27H28ClN3Oc11771023(28)1525(17)3026(32)21(1629)14201318(2)31(19(20)3)2411822(91224)27(45)6h715H16H3(H3032)b2114+
MFCD03237770
N#CC(=Cc1cc(n(c1C)c1ccc(cc1)C(C)(C)C)C)C(=O)Nc1cc(Cl)ccc1C
ZINC000009264368
ZINC09264368
ZINC9264368
Check stock
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