Vitas-M small molecule compound
2-methylpropyl 2,7,7-trimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK091080
SMILES COc1cc(OC)c(cc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC(C)C)OC
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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 C26H35NO6 MW 457.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO6/c1-14(2)13-33-25(29)22-15(3)27-17-11-26(4,5)12-18(28)24(17)23(22)16-9-20(31-7)21(32-8)10-19(16)30-6/h9-10,14,23,27H,11-13H2,1-8H3InChIKey
IOCYJGBMSWQBGX-UHFFFAOYSA-NSynonyms
2methylpropyl277trimethyl5oxo4(245trimethoxyphenyl)145678hexahydroquinoline3carboxylate
2methylpropyl277trimethyl5oxo4(245trimethoxyphenyl)1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3OC)OC)OC)C(=O)OCC(C)C
COc1cc(OC)c(cc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC(C)C)OC
InChI=1SC26H35NO6c114(2)133325(29)2215(3)27171126(45)1218(28)24(17)23(22)16920(317)21(328)1019(16)306h910142327H1113H218H3
MFCD02187993
STK091080
ZINC000000716973
ZINC000000716974
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