Vitas-M small molecule compound
2-phenoxyethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK054243
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1F)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 C29H26FNO4S MW 503.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26FNO4S/c1-18-26(29(33)35-14-13-34-20-8-3-2-4-9-20)27(21-10-5-6-11-22(21)30)28-23(31-18)16-19(17-24(28)32)25-12-7-15-36-25/h2-12,15,19,27,31H,13-14,16-17H2,1H3InChIKey
DPWXGVCVRALMIA-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(2fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2phenoxyethyl4(2fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=CC=C4F)C(=O)OCCOC5=CC=CC=C5
InChI=1SC29H26FNO4Sc11826(29(33)35141334208324920)27(2110561122(21)30)2823(3118)1619(1724(28)32)25127153625h21215192731H13141617H21H3
MFCD03371059
O=C(C1=C(C)NC2=C(C1c1ccccc1F)C(=O)CC(C2)c1cccs1)OCCOc1ccccc1
STK054243
ZINC000002772168
ZINC000002772171
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