Vitas-M small molecule compound
(7E)-7-(3-nitrobenzylidene)-3-(3-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide
Catalog ID
STK034041
SMILES NC(=S)N1N=C2C(C1c1cccc(c1)[N+](=O)[O-])CCC/C/2=C\c1cccc(c1)[N+](=O)[O-]
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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 C21H19N5O4S MW 437.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O4S/c22-21(31)24-20(15-6-2-8-17(12-15)26(29)30)18-9-3-5-14(19(18)23-24)10-13-4-1-7-16(11-13)25(27)28/h1-2,4,6-8,10-12,18,20H,3,5,9H2,(H2,22,31)/b14-10+InChIKey
QJRKKZNCCYNRRE-GXDHUFHOSA-NSynonyms
(7E)3(3NITROPHENYL)7((3NITROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOLE2CARBOTHIOAMIDE
(7E)7(3nitrobenzylidene)3(3nitrophenyl)33a4567hexahydro2Hindazole2carbothioamide
C1CC2C(N(N=C2C(=CC3=CC(=CC=C3)(N+)(=O)(O))C1)C(=S)N)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC21H19N5O4Sc2221(31)2420(1562817(1215)26(29)30)1893514(19(18)2324)101341716(1113)25(27)28h1246810121820H359H2(H22231)b1410+
MFCD00564648
NC(=S)N1N=C2C(C1c1cccc(c1)(N+)(=O)(O))CCCC2=Cc1cccc(c1)(N+)(=O)(O)
STK034041
ZINC000009086653
ZINC000009086656
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