Vitas-M small molecule compound
2-phenylethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK033997
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])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 C29H26N2O5S MW 514.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O5S/c1-18-26(29(33)36-14-13-19-6-3-2-4-7-19)27(20-9-11-22(12-10-20)31(34)35)28-23(30-18)16-21(17-24(28)32)25-8-5-15-37-25/h2-12,15,21,27,30H,13-14,16-17H2,1H3InChIKey
VAQRYKROYDUKBL-UHFFFAOYSA-NSynonyms
2phenylethyl2methyl4(4nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2phenylethyl2methyl4(4nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OCCC5=CC=CC=C5
InChI=1SC29H26N2O5Sc11826(29(33)361413196324719)27(2091122(121020)31(34)35)2823(3018)1621(1724(28)32)2585153725h21215212730H13141617H21H3
MFCD03371012
O=C(C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)c1cccs1)OCCc1ccccc1
STK033997
ZINC000001074669
ZINC000001074675
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