Vitas-M small molecule compound
4-(2-chloro-5-nitrophenyl)-7-(3,4-dimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Catalog ID
STK406607
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=O)CC2c1cc(ccc1Cl)[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 C23H21ClN2O6 MW 456.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O6/c1-31-20-6-3-12(9-21(20)32-2)13-7-18-23(19(27)8-13)16(11-22(28)25-18)15-10-14(26(29)30)4-5-17(15)24/h3-6,9-10,13,16H,7-8,11H2,1-2H3,(H,25,28)InChIKey
AHGYMBXIIHALTI-UHFFFAOYSA-NSynonyms
4(2chloro5nitrophenyl)7(34dimethoxyphenyl)134678hexahydroquinoline25dione
4(2chloro5nitrophenyl)7(34dimethoxyphenyl)4678tetrahydroquinoline25(1H3H)dione
COC1=C(C=C(C=C1)C2CC3=C(C(CC(=O)N3)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)C(=O)C2)OC
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=O)CC2c1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC23H21ClN2O6c131206312(921(20)322)1371823(19(27)813)16(1122(28)2518)151014(26(29)30)4517(15)24h369101316H7811H212H3(H2528)
MFCD07613235
ZINC000020258945
ZINC000020258951
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