Vitas-M small molecule compound
6-bromo-3-{2-[(7Z)-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-5-yl}-2H-chromen-2-one
Catalog ID
STL286809
SMILES Brc1ccc2c(c1)cc(c(=O)o2)c1cnc(s1)N1N=C2C(C1c1ccc(cc1)[N+](=O)[O-])CCC/C/2=C/c1ccc(cc1)[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 C32H22BrN5O6S MW 684.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H22BrN5O6S/c33-22-8-13-27-21(15-22)16-26(31(39)44-27)28-17-34-32(45-28)36-30(19-6-11-24(12-7-19)38(42)43)25-3-1-2-20(29(25)35-36)14-18-4-9-23(10-5-18)37(40)41/h4-17,25,30H,1-3H2/b20-14-InChIKey
IXVSSQSPYOQCNA-ZHZULCJRSA-NSynonyms
6BROMO3(2((7Z)3(4NITROPHENYL)7((4NITROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)13THIAZOL5YL)CHROMEN2ONE
6bromo3(2((7Z)7(4nitrobenzylidene)3(4nitrophenyl)33a4567hexahydro2Hindazol2yl)13thiazol5yl)2Hchromen2one
Brc1ccc2c(c1)cc(c(=O)o2)c1cnc(s1)N1N=C2C(C1c1ccc(cc1)(N+)(=O)(O))CCCC2=Cc1ccc(cc1)(N+)(=O)(O)
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)(N+)(=O)(O))C1)C4=NC=C(S4)C5=CC6=C(C=CC(=C6)Br)OC5=O)C7=CC=C(C=C7)(N+)(=O)(O)
InChI=1SC32H22BrN5O6Sc33228132721(1522)1626(31(39)4427)28173432(4528)3630(1961124(12719)38(42)43)2531220(29(25)3536)14184923(10518)37(40)41h4172530H13H2b2014
MFCD03613269
ZINC000097971248
ZINC000097971251
Check stock
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Check stock on Vitas-MAvailable files
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