Vitas-M small molecule compound
cyclopentyl 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK091410
SMILES Cc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)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 C25H31NO3 MW 393.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO3/c1-15-9-11-17(12-10-15)22-21(24(28)29-18-7-5-6-8-18)16(2)26-19-13-25(3,4)14-20(27)23(19)22/h9-12,18,22,26H,5-8,13-14H2,1-4H3InChIKey
ITBNVEMZHCUOTP-UHFFFAOYSA-NSynonyms
299450-90-1299450901
CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC4CCCC4)C
Cc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCC1
cyclopentyl277trimethyl4(4methylphenyl)5oxo145678hexahydroquinoline3carboxylate
cyclopentyl277trimethyl4(4methylphenyl)5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC25H31NO3c11591117(121015)2221(24(28)2918756818)16(2)26191325(34)1420(27)23(19)22h912182226H581314H214H3
MFCD00631906
STK091410
ZINC000004032161
ZINC000004032162
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