Vitas-M small molecule compound
cyclopentyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK371840
SMILES O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)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 C25H29NO5 MW 423.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO5/c1-14-21(24(28)31-16-6-4-5-7-16)22(15-8-9-19-20(10-15)30-13-29-19)23-17(26-14)11-25(2,3)12-18(23)27/h8-10,16,22,26H,4-7,11-13H2,1-3H3InChIKey
MSLSLNQMUHUUML-UHFFFAOYSA-NSynonyms
299407-98-0299407980
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OC5CCCC5
cyclopentyl4(13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC25H29NO5c11421(24(28)3116645716)22(15891920(1015)30132919)2317(2614)1125(23)1218(23)27h810162226H471113H213H3
MFCD00619525
ZINC000019315104
ZINC000019315106
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