Vitas-M small molecule compound
N-(4-chlorophenyl)-3-{[(7E)-7-(3-nitrobenzylidene)-3-(3-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]carbonyl}benzenesulfonamide
Catalog ID
STK889202
SMILES Clc1ccc(cc1)NS(=O)(=O)c1cccc(c1)C(=O)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 C33H26ClN5O7S MW 672.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26ClN5O7S/c34-25-13-15-26(16-14-25)36-47(45,46)29-11-3-8-24(20-29)33(40)37-32(23-7-2-10-28(19-23)39(43)44)30-12-4-6-22(31(30)35-37)17-21-5-1-9-27(18-21)38(41)42/h1-3,5,7-11,13-20,30,32,36H,4,6,12H2/b22-17+InChIKey
ZYWWWHFAYPPQST-OQKWZONESA-NSynonyms
C1CC2C(N(N=C2C(=CC3=CC(=CC=C3)(N+)(=O)(O))C1)C(=O)C4=CC(=CC=C4)S(=O)(=O)NC5=CC=C(C=C5)Cl)C6=CC(=CC=C6)(N+)(=O)(O)
Clc1ccc(cc1)NS(=O)(=O)c1cccc(c1)C(=O)N1N=C2C(C1c1cccc(c1)(N+)(=O)(O))CCCC2=Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC33H26ClN5O7Sc3425131526(161425)3647(4546)29113824(2029)33(40)3732(23721028(1923)39(43)44)30124622(31(30)3537)172151927(1821)38(41)42h1357111320303236H4612H2b2217+
MFCD02702679
N(4chlorophenyl)3(((7E)7(3nitrobenzylidene)3(3nitrophenyl)33a4567hexahydro2Hindazol2yl)carbonyl)benzenesulfonamide
N(4CHLOROPHENYL)3((7E)3(3NITROPHENYL)7((3NITROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOLE2CARBONYL)BENZENESULFONAMIDE
ZINC000150448881
ZINC000150448895
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