Vitas-M small molecule compound

cycloheptyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK402983
SMILES O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)OC1CCCCCC1

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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 C27H33NO5 MW 451.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO5/c1-16-23(26(30)33-18-8-6-4-5-7-9-18)24(17-10-11-21-22(12-17)32-15-31-21)25-19(28-16)13-27(2,3)14-20(25)29/h10-12,18,24,28H,4-9,13-15H2,1-3H3
InChIKey
QVVYMWRUKPCXDT-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OC5CCCCCC5
cycloheptyl4(13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cycloheptyl4(13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC27H33NO5c11623(26(30)331886457918)24(1710112122(1217)32153121)2519(2816)1327(23)1420(25)29h1012182428H491315H213H3
MFCD03145475
ZINC000019848835
ZINC000019848836

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Available files

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