Vitas-M small molecule compound
4-{(1E)-3-[(4-butylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenyl 2-chlorobenzoate
Catalog ID
STK472799
SMILES CCCCc1ccc(cc1)NC(=O)/C(=C/c1ccc(c(c1)OC)OC(=O)c1ccccc1Cl)/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 C28H25ClN2O4 MW 488.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN2O4/c1-3-4-7-19-10-13-22(14-11-19)31-27(32)21(18-30)16-20-12-15-25(26(17-20)34-2)35-28(33)23-8-5-6-9-24(23)29/h5-6,8-17H,3-4,7H2,1-2H3,(H,31,32)/b21-16+InChIKey
DKMWOQAAUXBHIN-LTGZKZEYSA-NSynonyms
(4((E)3(4butylanilino)2cyano3oxoprop1enyl)2methoxyphenyl)2chlorobenzoate
4((1E)2(N(4BUTYLPHENYL)CARBAMOYL)2CYANOVINYL)2METHOXYPHENYL2CHLOROBENZOATE
4((1E)3((4butylphenyl)amino)2cyano3oxoprop1en1yl)2methoxyphenyl2chlorobenzoate
CCCCC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3Cl)OC)C#N
CCCCc1ccc(cc1)NC(=O)C(=Cc1ccc(c(c1)OC)OC(=O)c1ccccc1Cl)C#N
InChI=1SC28H25ClN2O4c134719101322(141119)3127(32)21(1830)1620121525(26(1720)342)3528(33)23856924(23)29h56817H347H212H3(H3132)b2116+
MFCD07092676
ZINC000020572750
ZINC20572750
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