Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363616
SMILES COc1cc(ccc1O)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 C25H31NO6 MW 441.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO6/c1-14-21(24(29)32-13-16-6-5-9-31-16)22(15-7-8-18(27)20(10-15)30-4)23-17(26-14)11-25(2,3)12-19(23)28/h7-8,10,16,22,26-27H,5-6,9,11-13H2,1-4H3InChIKey
UGNSBCMBXJAMMP-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)O)OC)C(=O)OCC4CCCO4
InChI=1SC25H31NO6c11421(24(29)3213166593116)22(157818(27)20(1015)304)2317(2614)1125(23)1219(23)28h781016222627H5691113H214H3
MFCD01445738
oxolan2ylmethyl4(4hydroxy3methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
tetrahydrofuran2ylmethyl4(4hydroxy3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ZINC000019760600
ZINC000019760610
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