Vitas-M small molecule compound
4-(4-chloro-3-nitrophenyl)-7-(2,5-dimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Catalog ID
STK406438
SMILES COc1ccc(c(c1)C1CC(=O)C2=C(C1)NC(=O)CC2c1ccc(c(c1)[N+](=O)[O-])Cl)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)13-7-18-23(20(27)9-13)16(11-22(28)25-18)12-3-5-17(24)19(8-12)26(29)30/h3-6,8,10,13,16H,7,9,11H2,1-2H3,(H,25,28)InChIKey
ASCWAMZTUBAJCD-UHFFFAOYSA-NSynonyms
4(4chloro3nitrophenyl)7(25dimethoxyphenyl)134678hexahydroquinoline25dione
4(4chloro3nitrophenyl)7(25dimethoxyphenyl)4678tetrahydroquinoline25(1H3H)dione
COC1=CC(=C(C=C1)OC)C2CC3=C(C(CC(=O)N3)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))C(=O)C2
COc1ccc(c(c1)C1CC(=O)C2=C(C1)NC(=O)CC2c1ccc(c(c1)(N+)(=O)(O))Cl)OC
InChI=1SC23H21ClN2O6c131144621(322)15(1014)1371823(20(27)913)16(1122(28)2518)123517(24)19(812)26(29)30h368101316H7911H212H3(H2528)
MFCD06759613
ZINC000020228864
ZINC000020228870
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