Vitas-M small molecule compound
(2Z)-3-{3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(phenylsulfonyl)prop-2-enenitrile
Catalog ID
STK823517
SMILES C=CCOc1ccc(cc1C)c1nn(cc1/C=C(\S(=O)(=O)c1ccccc1)/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 C28H23N3O3S MW 481.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O3S/c1-3-16-34-27-15-14-22(17-21(27)2)28-23(20-31(30-28)24-10-6-4-7-11-24)18-26(19-29)35(32,33)25-12-8-5-9-13-25/h3-15,17-18,20H,1,16H2,2H3/b26-18-InChIKey
NLALJCNJCWBGTG-ITYLOYPMSA-NSynonyms
(2Z)3(3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)2(phenylsulfonyl)prop2enenitrile
(Z)2(benzenesulfonyl)3(3(3methyl4prop2enoxyphenyl)1phenylpyrazol4yl)prop2enenitrile
C=CCOc1ccc(cc1C)c1nn(cc1C=C(S(=O)(=O)c1ccccc1)C#N)c1ccccc1
CC1=C(C=CC(=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)OCC=C
InChI=1SC28H23N3O3Sc13163427151422(1721(27)2)2823(2031(3028)24106471124)1826(1929)35(3233)25128591325h315171820H116H22H3b2618
MFCD03464019
ZINC000032636397
ZINC32636397
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