Vitas-M small molecule compound
(7Z)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbimidothioic acid
Catalog ID
STK993715
SMILES SC(=N)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 C21H21N3S MW 347.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3S/c22-21(25)24-20(16-10-5-2-6-11-16)18-13-7-12-17(19(18)23-24)14-15-8-3-1-4-9-15/h1-6,8-11,14,18,20H,7,12-13H2,(H2,22,25)/b17-14-InChIKey
HOPJYLKOMWOWSH-VKAVYKQESA-NSynonyms
(7Z)7benzylidene3phenyl33a4567hexahydro2Hindazole2carbimidothioicacid
(7Z)7BENZYLIDENE3PHENYL3A456TETRAHYDRO3HINDAZOLE2CARBOTHIOAMIDE
InChI=1SC21H21N3Sc2221(25)2420(16105261116)181371217(19(18)2324)14158314915h16811141820H71213H2(H22225)b1714
MFCD18184984
SC(=N)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
ZINC000034856969
ZINC000107898818
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