Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK099551
SMILES O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)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 C25H29NO6 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO6/c1-14-21(24(28)30-12-16-5-4-8-29-16)22(15-6-7-19-20(9-15)32-13-31-19)23-17(26-14)10-25(2,3)11-18(23)27/h6-7,9,16,22,26H,4-5,8,10-13H2,1-3H3InChIKey
JOZQMIYURFCWEQ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OCC5CCCO5
InChI=1SC25H29NO6c11421(24(28)3012165482916)22(15671920(915)32133119)2317(2614)1025(23)1118(23)27h679162226H4581013H213H3
MFCD01528067
O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)OCC1CCCO1
oxolan2ylmethyl4(13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK099551
tetrahydrofuran2ylmethyl4(13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ZINC000000707710
ZINC000000707713
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