Vitas-M small molecule compound
(7E)-7-[4-(dimethylamino)benzylidene]-3-[4-(dimethylamino)phenyl]-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide
Catalog ID
STK993611
SMILES CN(c1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)N(C)C)C(=S)N)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 C25H31N5S MW 433.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5S/c1-28(2)20-12-8-17(9-13-20)16-19-6-5-7-22-23(19)27-30(25(26)31)24(22)18-10-14-21(15-11-18)29(3)4/h8-16,22,24H,5-7H2,1-4H3,(H2,26,31)/b19-16+InChIKey
MVHSLZMRKZFDTM-KNTRCKAVSA-NSynonyms
(7E)3(4(dimethylamino)phenyl)7((4(dimethylamino)phenyl)methylidene)3a456tetrahydro3Hindazole2carbothioamide
(7E)7(4(dimethylamino)benzylidene)3(4(dimethylamino)phenyl)33a4567hexahydro2Hindazole2carbothioamide
CN(C)C1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)N(C)C)C(=S)N
CN(c1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)N(C)C)C(=S)N)C
InChI=1SC25H31N5Sc128(2)2012817(91320)16196572223(19)2730(25(26)31)24(22)18101421(151118)29(3)4h8162224H57H214H3(H22631)b1916+
MFCD18184918
ZINC000051330126
ZINC000051330131
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