Vitas-M small molecule compound
cyclopentyl 2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK017779
SMILES O=C(C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CC(C2)(C)C)OC1CCCC1
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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 C27H29NO5 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5/c1-15-22(26(31)33-16-8-4-5-9-16)23(24-19(28-15)12-27(2,3)13-20(24)29)18-14-32-21-11-7-6-10-17(21)25(18)30/h6-7,10-11,14,16,23,28H,4-5,8-9,12-13H2,1-3H3InChIKey
SKELPJVFKOGYGI-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=COC4=CC=CC=C4C3=O)C(=O)OC5CCCC5
cyclopentyl277trimethyl5oxo4(4oxo4Hchromen3yl)145678hexahydroquinoline3carboxylate
cyclopentyl277trimethyl5oxo4(4oxochromen3yl)1468tetrahydroquinoline3carboxylate
InChI=1SC27H29NO5c11522(26(31)3316845916)23(2419(2815)1227(23)1320(24)29)1814322111761017(21)25(18)30h67101114162328H45891213H213H3
MFCD01825084
O=C(C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CC(C2)(C)C)OC1CCCC1
STK017779
ZINC000001188667
ZINC000001188676
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