Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-[4-(methoxycarbonyl)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402463
SMILES COC(=O)c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC1CCCO1
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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 C26H31NO6 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO6/c1-15-21(25(30)33-14-18-6-5-11-32-18)22(16-7-9-17(10-8-16)24(29)31-4)23-19(27-15)12-26(2,3)13-20(23)28/h7-10,18,22,27H,5-6,11-14H2,1-4H3InChIKey
PDLBCUJMFNJLLE-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)C(=O)OC)C(=O)OCC4CCCO4
InChI=1SC26H31NO6c11521(25(30)33141865113218)22(167917(10816)24(29)314)2319(2715)1226(23)1320(23)28h710182227H561114H214H3
MFCD01445750
oxolan2ylmethyl4(4methoxycarbonylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
tetrahydrofuran2ylmethyl4(4(methoxycarbonyl)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ZINC000000707983
ZINC000000707986
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