Vitas-M small molecule compound
2-methoxyethyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK004621
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)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/c1-15-23(27(30)35-9-8-31-2)24(17-13-20(32-3)26(34-5)21(14-17)33-4)25-18(28-15)11-16(12-19(25)29)22-7-6-10-36-22/h6-7,10,13-14,16,24,28H,8-9,11-12H2,1-5H3InChIKey
RSYKMFIVHMADEJ-UHFFFAOYSA-NSynonyms
2methoxyethyl2methyl5oxo7(thiophen2yl)4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
2methoxyethyl2methyl5oxo7thiophen2yl4(345trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)c1cccs1
InChI=1SC27H31NO7Sc11523(27(30)3598312)24(171320(323)26(345)21(1417)334)2518(2815)1116(1219(25)29)2276103622h67101314162428H891112H215H3
MFCD02627296
STK004621
ZINC000002771880
ZINC000002771883
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