Vitas-M small molecule compound
4-(2-chloro-5-nitrophenyl)-7-(4-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Catalog ID
STK406802
SMILES COc1ccc(cc1)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 C22H19ClN2O5 MW 426.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN2O5/c1-30-15-5-2-12(3-6-15)13-8-19-22(20(26)9-13)17(11-21(27)24-19)16-10-14(25(28)29)4-7-18(16)23/h2-7,10,13,17H,8-9,11H2,1H3,(H,24,27)InChIKey
HPZYEMOPGVYGKB-UHFFFAOYSA-NSynonyms
4(2chloro5nitrophenyl)7(4methoxyphenyl)134678hexahydroquinoline25dione
4(2chloro5nitrophenyl)7(4methoxyphenyl)4678tetrahydroquinoline25(1H3H)dione
COC1=CC=C(C=C1)C2CC3=C(C(CC(=O)N3)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)C(=O)C2
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=O)CC2c1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC22H19ClN2O5c130155212(3615)1381922(20(26)913)17(1121(27)2419)161014(25(28)29)4718(16)23h27101317H8911H21H3(H2427)
MFCD07613372
ZINC000017095138
ZINC000017095141
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