Vitas-M small molecule compound
propan-2-yl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402808
SMILES COc1cccc(c1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC(C)C
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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 C26H29NO5S MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO5S/c1-14(2)32-26(29)22-15(3)27-18-12-16(21-10-7-11-33-21)13-19(28)24(18)23(22)17-8-6-9-20(30-4)25(17)31-5/h6-11,14,16,23,27H,12-13H2,1-5H3InChIKey
HWAJYZSKDVLBHP-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C(=CC=C4)OC)OC)C(=O)OC(C)C
InChI=1SC26H29NO5Sc114(2)3226(29)2215(3)27181216(21107113321)1319(28)24(18)23(22)1786920(304)25(17)315h61114162327H1213H215H3
MFCD02868524
propan2yl4(23dimethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
propan2yl4(23dimethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
ZINC000000781249
ZINC000000781252
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