Vitas-M small molecule compound
methyl 4-{3-methoxy-4-[(thiophen-2-ylcarbonyl)oxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK377288
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC(=O)c1cccs1)C(=O)CC(C2)(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 C26H27NO6S MW 481.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO6S/c1-14-21(25(30)32-5)22(23-16(27-14)12-26(2,3)13-17(23)28)15-8-9-18(19(11-15)31-4)33-24(29)20-7-6-10-34-20/h6-11,22,27H,12-13H2,1-5H3InChIKey
IWVIQKCQSJHJMZ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC(=O)C4=CC=CS4)OC)C(=O)OC
InChI=1SC26H27NO6Sc11421(25(30)325)22(2316(2714)1226(23)1317(23)28)158918(19(1115)314)3324(29)2076103420h6112227H1213H215H3
methyl4(3methoxy4((thiophen2ylcarbonyl)oxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3methoxy4(thiophene2carbonyloxy)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD01528035
ZINC000019943688
ZINC000019943694
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