Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK011393
SMILES O=C(C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)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 C27H29NO6 MW 463.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO6/c1-15-22(26(31)34-13-16-7-6-10-32-16)23(24-19(28-15)11-27(2,3)12-20(24)29)18-14-33-21-9-5-4-8-17(21)25(18)30/h4-5,8-9,14,16,23,28H,6-7,10-13H2,1-3H3InChIKey
OJSNTWZVPSPGIE-UHFFFAOYSA-NSynonyms
5875-68-31HPYRROLE3CARBOXYLICACID4(4CHLORO3NITROPHENYL)5FORMYL2METHYLETHYLESTER
5875683
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=COC4=CC=CC=C4C3=O)C(=O)OCC5CCCO5
InChI=1SC27H29NO6c11522(26(31)34131676103216)23(2419(2815)1127(23)1220(24)29)18143321954817(21)25(18)30h458914162328H671013H213H3
MFCD01824521
O=C(C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CC(C2)(C)C)OCC1CCCO1
oxolan2ylmethyl277trimethyl5oxo4(4oxochromen3yl)1468tetrahydroquinoline3carboxylate
STK011393
tetrahydrofuran2ylmethyl277trimethyl5oxo4(4oxo4Hchromen3yl)145678hexahydroquinoline3carboxylate
ZINC000019720108
ZINC000019720111
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