Vitas-M small molecule compound
4-(2-chloro-5-nitrophenyl)-7-(2,5-dimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Catalog ID
STK406758
SMILES COc1ccc(c(c1)C1CC(=O)C2=C(C1)NC(=O)CC2c1cc(ccc1Cl)[N+](=O)[O-])OC
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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 C23H21ClN2O6 MW 456.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O6/c1-31-14-4-6-21(32-2)15(10-14)12-7-19-23(20(27)8-12)17(11-22(28)25-19)16-9-13(26(29)30)3-5-18(16)24/h3-6,9-10,12,17H,7-8,11H2,1-2H3,(H,25,28)InChIKey
VKRWMCVDMATJIH-UHFFFAOYSA-NSynonyms
4(2chloro5nitrophenyl)7(25dimethoxyphenyl)134678hexahydroquinoline25dione
4(2chloro5nitrophenyl)7(25dimethoxyphenyl)4678tetrahydroquinoline25(1H3H)dione
COC1=CC(=C(C=C1)OC)C2CC3=C(C(CC(=O)N3)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)C(=O)C2
COc1ccc(c(c1)C1CC(=O)C2=C(C1)NC(=O)CC2c1cc(ccc1Cl)(N+)(=O)(O))OC
InChI=1SC23H21ClN2O6c131144621(322)15(1014)1271923(20(27)812)17(1122(28)2519)16913(26(29)30)3518(16)24h369101217H7811H212H3(H2528)
MFCD07613333
ZINC000020228856
ZINC000020228862
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