Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK021450
SMILES COc1cccc(c1OC)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 C26H33NO6 MW 455.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO6/c1-15-21(25(29)33-14-16-8-7-11-32-16)22(17-9-6-10-20(30-4)24(17)31-5)23-18(27-15)12-26(2,3)13-19(23)28/h6,9-10,16,22,27H,7-8,11-14H2,1-5H3InChIKey
JWTBTBOQPLDZFB-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C(=CC=C3)OC)OC)C(=O)OCC4CCCO4
COc1cccc(c1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC1CCCO1
InChI=1SC26H33NO6c11521(25(29)33141687113216)22(17961020(304)24(17)315)2318(2715)1226(23)1319(23)28h6910162227H781114H215H3
MFCD02375967
oxolan2ylmethyl4(23dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK021450
tetrahydrofuran2ylmethyl4(23dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ZINC000001204224
ZINC000001204235
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