Vitas-M small molecule compound
ethyl 4-(3-{(1Z)-3-[(4-chloro-3-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK181042
SMILES CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C(\C(=O)Nc1ccc(c(c1)C)Cl)/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 C26H24ClN3O3 MW 461.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN3O3/c1-5-33-26(32)19-6-9-23(10-7-19)30-17(3)13-20(18(30)4)14-21(15-28)25(31)29-22-8-11-24(27)16(2)12-22/h6-14H,5H2,1-4H3,(H,29,31)/b21-14-InChIKey
CLHYRERLFHIYLO-STZFKDTASA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NC3=CC(=C(C=C3)Cl)C)C
CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C(C(=O)Nc1ccc(c(c1)C)Cl)C#N
ETHYL4(3((1Z)3((4CHLORO3METHYLPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOATE
ethyl4(3((Z)3(4chloro3methylanilino)2cyano3oxoprop1enyl)25dimethylpyrrol1yl)benzoate
InChI=1SC26H24ClN3O3c153326(32)196923(10719)3017(3)1320(18(30)4)1421(1528)25(31)292281124(27)16(2)1222h614H5H214H3(H2931)b2114
MFCD06664308
ZINC000009905646
ZINC09905646
ZINC9905646
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