Vitas-M small molecule compound
(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-N-cyclohexyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carboxamide
Catalog ID
STK889289
SMILES Clc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)Cl)C(=O)NC1CCCCC1
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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 C27H29Cl2N3O MW 482.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29Cl2N3O/c28-21-13-9-18(10-14-21)17-20-5-4-8-24-25(20)31-32(26(24)19-11-15-22(29)16-12-19)27(33)30-23-6-2-1-3-7-23/h9-17,23-24,26H,1-8H2,(H,30,33)/b20-17+InChIKey
IICHWYMQFMUNLQ-LVZFUZTISA-NSynonyms
(7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)NCYCLOHEXYL3A456TETRAHYDRO3HINDAZOLE2CARBOXAMIDE
(7E)7(4chlorobenzylidene)3(4chlorophenyl)Ncyclohexyl33a4567hexahydro2Hindazole2carboxamide
C1CCC(CC1)NC(=O)N2C(C3CCCC(=CC4=CC=C(C=C4)Cl)C3=N2)C5=CC=C(C=C5)Cl
Clc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)Cl)C(=O)NC1CCCCC1
InChI=1SC27H29Cl2N3Oc282113918(101421)17205482425(20)3132(26(24)19111522(29)161219)27(33)30236213723h917232426H18H2(H3033)b2017+
MFCD03489670
ZINC000013301804
ZINC000013301810
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