Vitas-M small molecule compound
[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](3,5-dinitrophenyl)methanone
Catalog ID
STL286776
SMILES Clc1ccc(cc1)C1C2CCC/C(=C\c3ccc(cc3)Cl)/C2=NN1C(=O)c1cc(cc(c1)[N+](=O)[O-])[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 C27H20Cl2N4O5 MW 551.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20Cl2N4O5/c28-20-8-4-16(5-9-20)12-18-2-1-3-24-25(18)30-31(26(24)17-6-10-21(29)11-7-17)27(34)19-13-22(32(35)36)15-23(14-19)33(37)38/h4-15,24,26H,1-3H2/b18-12+InChIKey
POAIZWYNQTWSIP-LDADJPATSA-NSynonyms
((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(35DINITROPHENYL)METHANONE
((7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)(35dinitrophenyl)methanone
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)C4=CC(=CC(=C4)(N+)(=O)(O))(N+)(=O)(O))C5=CC=C(C=C5)Cl
Clc1ccc(cc1)C1C2CCCC(=Cc3ccc(cc3)Cl)C2=NN1C(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC27H20Cl2N4O5c28208416(5920)12182132425(18)3031(26(24)1761021(29)11717)27(34)191322(32(35)36)1523(1419)33(37)38h4152426H13H2b1812+
MFCD03489588
ZINC000097971190
ZINC000097971193
Check stock
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