Vitas-M small molecule compound
2-methoxyethyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK049030
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1OC)OC)OC)C(=O)CC(C2)c1cccs1
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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 C27H31NO7S MW 513.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO7S/c1-15-22(27(30)35-11-10-31-2)23(17-8-9-20(32-3)26(34-5)25(17)33-4)24-18(28-15)13-16(14-19(24)29)21-7-6-12-36-21/h6-9,12,16,23,28H,10-11,13-14H2,1-5H3InChIKey
WDBIHFFBYRKMGV-UHFFFAOYSA-NSynonyms
421586-68-72methoxyethyl2methyl5oxo7(thiophen2yl)4(234trimethoxyphenyl)145678hexahydroquinoline3carboxylate
2methoxyethyl2methyl5oxo7thiophen2yl4(234trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
421586687
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C(=C(C=C4)OC)OC)OC)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1OC)OC)OC)C(=O)CC(C2)c1cccs1
InChI=1SC27H31NO7Sc11522(27(30)351110312)23(178920(323)26(345)25(17)334)2418(2815)1316(1419(24)29)2176123621h6912162328H10111314H215H3
MFCD02627342
STK049030
ZINC000002190933
ZINC000002190936
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