Vitas-M small molecule compound

(2Z)-2-[(4-chlorophenyl)sulfonyl]-3-{1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile

Catalog ID
STK703402
SMILES N#C/C(=C/c1cn(nc1c1ccc(cc1)OC(C)C)c1ccccc1)/S(=O)(=O)c1ccc(cc1)Cl

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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 C27H22ClN3O3S MW 504.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O3S/c1-19(2)34-24-12-8-20(9-13-24)27-21(18-31(30-27)23-6-4-3-5-7-23)16-26(17-29)35(32,33)25-14-10-22(28)11-15-25/h3-16,18-19H,1-2H3/b26-16-
InChIKey
GQAWXHXQZWYXCX-QQXSKIMKSA-N
Synonyms

(2Z)2((4chlorophenyl)sulfonyl)3(1phenyl3(4(propan2yloxy)phenyl)1Hpyrazol4yl)prop2enenitrile
(E)2((4chlorophenyl)sulfonyl)3(3(4isopropoxyphenyl)1phenyl1Hpyrazol4yl)acrylonitrile
(Z)2(4CHLOROPHENYL)SULFONYL3(1PHENYL3(4PROPAN2YLOXYPHENYL)PYRAZOL4YL)PROP2ENENITRILE
CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI=1SC27H22ClN3O3Sc119(2)342412820(91324)2721(1831(3027)236435723)1626(1729)35(3233)25141022(28)111525h3161819H12H3b2616
MFCD06264946
N#CC(=Cc1cn(nc1c1ccc(cc1)OC(C)C)c1ccccc1)S(=O)(=O)c1ccc(cc1)Cl
ZINC000015229567
ZINC15229567

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Available files

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