Vitas-M small molecule compound
(2E)-3-[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
Catalog ID
STK811262
SMILES CCCCOc1ccc(c(c1)C)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 C30H29N3O3S MW 511.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O3S/c1-4-5-17-36-26-13-16-29(23(3)18-26)30-24(21-33(32-30)25-9-7-6-8-10-25)19-28(20-31)37(34,35)27-14-11-22(2)12-15-27/h6-16,18-19,21H,4-5,17H2,1-3H3/b28-19+InChIKey
HQIHDLZFRFYOSO-TURZUDJPSA-NSynonyms
(2E)3(3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)2((4methylphenyl)sulfonyl)prop2enenitrile
(E)3(3(4BUTOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)2(4METHYLPHENYL)SULFONYLPROP2ENENITRILE
CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)C
CCCCOc1ccc(c(c1)C)c1nn(cc1C=C(S(=O)(=O)c1ccc(cc1)C)C#N)c1ccccc1
InChI=1SC30H29N3O3Sc145173626131629(23(3)1826)3024(2133(3230)2597681025)1928(2031)37(3435)27141122(2)121527h616181921H4517H213H3b2819+
MFCD06264845
ZINC000016713616
ZINC16713616
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