Vitas-M small molecule compound
2-phenoxyethyl 2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402918
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])C)C(=O)CC(C2)c1cccs1)OCCOc1ccccc1
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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 C30H28N2O6S MW 544.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O6S/c1-18-10-11-20(16-24(18)32(35)36)28-27(30(34)38-13-12-37-22-7-4-3-5-8-22)19(2)31-23-15-21(17-25(33)29(23)28)26-9-6-14-39-26/h3-11,14,16,21,28,31H,12-13,15,17H2,1-2H3InChIKey
TXBYDRWLUHDEGH-UHFFFAOYSA-NSynonyms
2phenoxyethyl2methyl4(4methyl3nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2phenoxyethyl2methyl4(4methyl3nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCCOC5=CC=CC=C5)C)(N+)(=O)(O)
InChI=1SC30H28N2O6Sc118101120(1624(18)32(35)36)2827(30(34)38131237227435822)19(2)31231521(1725(33)29(23)28)2696143926h3111416212831H12131517H212H3
MFCD03370950
O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))C)C(=O)CC(C2)c1cccs1)OCCOc1ccccc1
ZINC000097939768
ZINC000097939771
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