Vitas-M small molecule compound
(7E)-7-benzylidene-N,3-diphenyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide
Catalog ID
STK889287
SMILES S=C(N1N=C2C(C1c1ccccc1)CCC/C/2=C\c1ccccc1)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 C27H25N3S MW 423.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3S/c31-27(28-23-16-8-3-9-17-23)30-26(21-13-6-2-7-14-21)24-18-10-15-22(25(24)29-30)19-20-11-4-1-5-12-20/h1-9,11-14,16-17,19,24,26H,10,15,18H2,(H,28,31)/b22-19+InChIKey
KZBAMOIOGRXNBO-ZBJSNUHESA-NSynonyms
(7E)7benzylideneN3diphenyl33a4567hexahydro2Hindazole2carbothioamide
(7E)7BENZYLIDENEN3DIPHENYL3A456TETRAHYDRO3HINDAZOLE2CARBOTHIOAMIDE
C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=S)NC4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC27H25N3Sc3127(2823168391723)3026(21136271421)2418101522(25(24)2930)1920114151220h1911141617192426H101518H2(H2831)b2219+
MFCD03489668
S=C(N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1)Nc1ccccc1
ZINC000040487516
ZINC000040487519
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