Vitas-M small molecule compound
propan-2-yl 2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK041282
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)C)C(=O)CC(C2)(C)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 C26H29NO5 MW 435.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO5/c1-13(2)32-25(30)21-15(4)27-18-10-26(5,6)11-19(28)23(18)22(21)17-12-31-20-8-7-14(3)9-16(20)24(17)29/h7-9,12-13,22,27H,10-11H2,1-6H3InChIKey
WLQKXNWRJSCCFV-UHFFFAOYSA-NSynonyms
CC(OC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)C)C(=O)CC(C2)(C)C)C
CC1=CC2=C(C=C1)OC=C(C2=O)C3C4=C(CC(CC4=O)(C)C)NC(=C3C(=O)OC(C)C)C
InChI=1SC26H29NO5c113(2)3225(30)2115(4)27181026(56)1119(28)23(18)22(21)171231208714(3)916(20)24(17)29h7912132227H1011H216H3
MFCD02188151
propan2yl277trimethyl4(6methyl4oxo4Hchromen3yl)5oxo145678hexahydroquinoline3carboxylate
propan2yl277trimethyl4(6methyl4oxochromen3yl)5oxo1468tetrahydroquinoline3carboxylate
STK041282
ZINC000008439415
ZINC000008439418
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