Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402739
SMILES COc1cc(ccc1O)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 C27H29NO6S MW 495.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO6S/c1-15-24(27(31)34-14-18-5-3-9-33-18)25(16-7-8-20(29)22(13-16)32-2)26-19(28-15)11-17(12-21(26)30)23-6-4-10-35-23/h4,6-8,10,13,17-18,25,28-29H,3,5,9,11-12,14H2,1-2H3InChIKey
AYECKASKOORBSA-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C=C4)O)OC)C(=O)OCC5CCCO5
InChI=1SC27H29NO6Sc11524(27(31)3414185393318)25(167820(29)22(1316)322)2619(2815)1117(1221(26)30)2364103523h46810131718252829H359111214H212H3
MFCD02868436
oxolan2ylmethyl4(4hydroxy3methoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(4hydroxy3methoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000000788208
ZINC000035830465
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