Vitas-M small molecule compound

2-phenylethyl 2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK403184
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])C)C(=O)CC(C2)c1cccs1)OCCc1ccccc1

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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 C30H28N2O5S MW 528.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O5S/c1-18-10-11-21(16-24(18)32(35)36)28-27(30(34)37-13-12-20-7-4-3-5-8-20)19(2)31-23-15-22(17-25(33)29(23)28)26-9-6-14-38-26/h3-11,14,16,22,28,31H,12-13,15,17H2,1-2H3
InChIKey
AYZKKFSZMACBTB-UHFFFAOYSA-N
Synonyms

2phenylethyl2methyl4(4methyl3nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2phenylethyl2methyl4(4methyl3nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCCC5=CC=CC=C5)C)(N+)(=O)(O)
InChI=1SC30H28N2O5Sc118101121(1624(18)32(35)36)2827(30(34)371312207435820)19(2)31231522(1725(33)29(23)28)2696143826h3111416222831H12131517H212H3
MFCD03312414
O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))C)C(=O)CC(C2)c1cccs1)OCCc1ccccc1
ZINC000001434653
ZINC000001434656

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Available files

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