Vitas-M small molecule compound

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

Catalog ID
STK033822
SMILES O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)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 C25H28BrNO5 MW 502.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28BrNO5/c1-13-21(24(29)32-14-6-4-5-7-14)22(15-8-19-20(9-16(15)26)31-12-30-19)23-17(27-13)10-25(2,3)11-18(23)28/h8-9,14,22,27H,4-7,10-12H2,1-3H3
InChIKey
HATUPGGIOHBDPV-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3Br)OCO4)C(=O)OC5CCCC5
cyclopentyl4(6bromo13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(6bromo13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC25H28BrNO5c11321(24(29)3214645714)22(1581920(916(15)26)31123019)2317(2713)1025(23)1118(23)28h89142227H471012H213H3
MFCD00619533
O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)(C)C)OC1CCCC1
STK033822
ZINC000000626388
ZINC000000626393

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Available files

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