Vitas-M small molecule compound
(7E)-7-benzylidene-N-(3,4-dichlorophenyl)-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carboxamide
Catalog ID
STK889293
SMILES O=C(N1N=C2C(C1c1ccccc1)CCC/C/2=C\c1ccccc1)Nc1ccc(c(c1)Cl)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 C27H23Cl2N3O MW 476.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23Cl2N3O/c28-23-15-14-21(17-24(23)29)30-27(33)32-26(19-10-5-2-6-11-19)22-13-7-12-20(25(22)31-32)16-18-8-3-1-4-9-18/h1-6,8-11,14-17,22,26H,7,12-13H2,(H,30,33)/b20-16+InChIKey
FVGODPJEYOSJFA-CAPFRKAQSA-NSynonyms
(7E)7benzylideneN(34dichlorophenyl)3phenyl33a4567hexahydro2Hindazole2carboxamide
(7E)7BENZYLIDENEN(34DICHLOROPHENYL)3PHENYL3A456TETRAHYDRO3HINDAZOLE2CARBOXAMIDE
C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)NC4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5
InChI=1SC27H23Cl2N3Oc2823151421(1724(23)29)3027(33)3226(19105261119)221371220(25(22)3132)16188314918h1681114172226H71213H2(H3033)b2016+
MFCD03489680
O=C(N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1)Nc1ccc(c(c1)Cl)Cl
ZINC000013302070
ZINC000013302077
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