Vitas-M small molecule compound
(2Z)-2-cyano-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(1-phenylethyl)prop-2-enamide
Catalog ID
STK823515
SMILES CCCOc1ccc(cc1C)c1nn(cc1/C=C(\C(=O)NC(c1ccccc1)C)/C#N)c1ccccc1
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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 C31H30N4O2 MW 490.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O2/c1-4-17-37-29-16-15-25(18-22(29)2)30-27(21-35(34-30)28-13-9-6-10-14-28)19-26(20-32)31(36)33-23(3)24-11-7-5-8-12-24/h5-16,18-19,21,23H,4,17H2,1-3H3,(H,33,36)/b26-19-InChIKey
SBFQQMZOTFKDDI-XHPQRKPJSA-NSynonyms
(2Z)2cyano3(3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)N(1phenylethyl)prop2enamide
(Z)2cyano3(3(3methyl4propoxyphenyl)1phenylpyrazol4yl)N(1phenylethyl)prop2enamide
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC(C)C3=CC=CC=C3)C4=CC=CC=C4)C
CCCOc1ccc(cc1C)c1nn(cc1C=C(C(=O)NC(c1ccccc1)C)C#N)c1ccccc1
InChI=1SC31H30N4O2c14173729161525(1822(29)2)3027(2135(3430)281396101428)1926(2032)31(36)3323(3)24117581224h51618192123H417H213H3(H3336)b2619
MFCD03464017
ZINC000027019900
ZINC000027019904
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