Vitas-M small molecule compound
(2Z)-2-{[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]carbonyl}-3-(4-methylphenyl)prop-2-enenitrile
Catalog ID
STL112566
SMILES N#C/C(=C/c1ccc(cc1)C)/C(=O)N1N=C2C(C1c1ccccc1)CCC/C/2=C\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 C31H27N3O MW 457.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O/c1-22-15-17-24(18-16-22)20-27(21-32)31(35)34-30(25-11-6-3-7-12-25)28-14-8-13-26(29(28)33-34)19-23-9-4-2-5-10-23/h2-7,9-12,15-20,28,30H,8,13-14H2,1H3/b26-19+,27-20-InChIKey
FXTNDRZPXFXGSK-KDXNZWMXSA-NSynonyms
(2Z)2(((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)carbonyl)3(4methylphenyl)prop2enenitrile
(Z)2((7E)7benzylidene3phenyl3a456tetrahydro3Hindazole2carbonyl)3(4methylphenyl)prop2enenitrile
CC1=CC=C(C=C1)C=C(C#N)C(=O)N2C(C3CCCC(=CC4=CC=CC=C4)C3=N2)C5=CC=CC=C5
InChI=1SC31H27N3Oc122151724(181622)2027(2132)31(35)3430(25116371225)281481326(29(28)3334)192394251023h2791215202830H81314H21H3b2619+2720
MFCD20746977
N#CC(=Cc1ccc(cc1)C)C(=O)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
ZINC000067321622
ZINC000067321631
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