Vitas-M small molecule compound
methyl 4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK017063
SMILES CCCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC
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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 C24H31NO5 MW 413.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO5/c1-7-10-30-18-9-8-15(11-19(18)28-5)21-20(23(27)29-6)14(2)25-16-12-24(3,4)13-17(26)22(16)21/h8-9,11,21,25H,7,10,12-13H2,1-6H3InChIKey
MLLJUIBYSLKTGY-UHFFFAOYSA-NSynonyms
CCCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C)OC
CCCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC
InChI=1SC24H31NO5c171030189815(1119(18)285)2120(23(27)296)14(2)25161224(34)1317(26)22(16)21h89112125H7101213H216H3
methyl4(3methoxy4propoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3methoxy4propoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD00717808
STK017063
ZINC000004060434
ZINC000004060435
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