Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402685
SMILES Cc1ccc(o1)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 C23H29NO5 MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO5/c1-13-7-8-18(29-13)21-19(22(26)28-12-15-6-5-9-27-15)14(2)24-16-10-23(3,4)11-17(25)20(16)21/h7-8,15,21,24H,5-6,9-12H2,1-4H3InChIKey
CXJRVAFVHSKABE-UHFFFAOYSA-NSynonyms
CC1=CC=C(O1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4CCCO4)C
InChI=1SC23H29NO5c1137818(2913)2119(22(26)2812156592715)14(2)24161023(34)1117(25)20(16)21h78152124H56912H214H3
MFCD02104441
oxolan2ylmethyl277trimethyl4(5methylfuran2yl)5oxo1468tetrahydroquinoline3carboxylate
tetrahydrofuran2ylmethyl277trimethyl4(5methylfuran2yl)5oxo145678hexahydroquinoline3carboxylate
ZINC000000883217
ZINC000000883231
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