Vitas-M small molecule compound
2-chloro-1-[(7E)-7-(4-methylbenzylidene)-3-(4-methylphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone
Catalog ID
STK993170
SMILES ClCC(=O)N1N=C2C(C1c1ccc(cc1)C)CCC/C/2=C\c1ccc(cc1)C
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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 C24H25ClN2O MW 392.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN2O/c1-16-6-10-18(11-7-16)14-20-4-3-5-21-23(20)26-27(22(28)15-25)24(21)19-12-8-17(2)9-13-19/h6-14,21,24H,3-5,15H2,1-2H3/b20-14+InChIKey
LEUQRPNRVUXMSV-XSFVSMFZSA-NSynonyms
2chloro1((7E)3(4methylphenyl)7((4methylphenyl)methylidene)3a456tetrahydro3Hindazol2yl)ethanone
2chloro1((7E)7(4methylbenzylidene)3(4methylphenyl)33a4567hexahydro2Hindazol2yl)ethanone
CC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)C)C(=O)CCl
ClCC(=O)N1N=C2C(C1c1ccc(cc1)C)CCCC2=Cc1ccc(cc1)C
InChI=1SC24H25ClN2Oc11661018(11716)14204352123(20)2627(22(28)1525)24(21)1912817(2)91319h6142124H3515H212H3b2014+
MFCD08448421
ZINC000051329686
ZINC000051329692
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