Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK035508
SMILES COc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1
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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 C28H31NO6S MW 509.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO6S/c1-16-25(28(31)35-15-19-6-4-10-34-19)26(17-8-9-22(32-2)23(14-17)33-3)27-20(29-16)12-18(13-21(27)30)24-7-5-11-36-24/h5,7-9,11,14,18-19,26,29H,4,6,10,12-13,15H2,1-3H3InChIKey
HPCXPFNJSIBWTH-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC)C(=O)OCC5CCCO5
COc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1
InChI=1SC28H31NO6Sc11625(28(31)35151964103419)26(178922(322)23(1417)333)2720(2916)1218(1321(27)30)2475113624h579111418192629H4610121315H213H3
MFCD02627298
oxolan2ylmethyl4(34dimethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
STK035508
tetrahydrofuran2ylmethyl4(34dimethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000001456287
ZINC000229927404
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