Vitas-M small molecule compound
(2E)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
Catalog ID
STK818468
SMILES COc1cccc2c1oc(c2)c1nn(cc1/C=C(/S(=O)(=O)c1ccc(cc1)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 C28H21N3O4S MW 495.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O4S/c1-19-11-13-23(14-12-19)36(32,33)24(17-29)15-21-18-31(22-8-4-3-5-9-22)30-27(21)26-16-20-7-6-10-25(34-2)28(20)35-26/h3-16,18H,1-2H3/b24-15+InChIKey
OUFKEWHZYIEUQN-BUVRLJJBSA-NSynonyms
(2E)3(3(7methoxy1benzofuran2yl)1phenyl1Hpyrazol4yl)2((4methylphenyl)sulfonyl)prop2enenitrile
(E)3(3(7METHOXY1BENZOFURAN2YL)1PHENYLPYRAZOL4YL)2(4METHYLPHENYL)SULFONYLPROP2ENENITRILE
CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CN(N=C2C3=CC4=C(O3)C(=CC=C4)OC)C5=CC=CC=C5)C#N
COc1cccc2c1oc(c2)c1nn(cc1C=C(S(=O)(=O)c1ccc(cc1)C)C#N)c1ccccc1
InChI=1SC28H21N3O4Sc119111323(141219)36(3233)24(1729)15211831(228435922)3027(21)261620761025(342)28(20)3526h31618H12H3b2415+
MFCD04447900
ZINC000006165535
ZINC06165535
ZINC6165535
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