Vitas-M small molecule compound

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

Catalog ID
STK011013
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1Br)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 C24H28BrNO3 MW 458.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28BrNO3/c1-14-20(23(28)29-15-8-4-5-9-15)21(16-10-6-7-11-17(16)25)22-18(26-14)12-24(2,3)13-19(22)27/h6-7,10-11,15,21,26H,4-5,8-9,12-13H2,1-3H3
InChIKey
VDQHMGHQVLZSMN-UHFFFAOYSA-N
Synonyms
295804-30-7
295804307
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3Br)C(=O)OC4CCCC4
cyclopentyl4(2bromophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(2bromophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC24H28BrNO3c11420(23(28)2915845915)21(1610671117(16)25)2218(2614)1224(23)1319(22)27h671011152126H45891213H213H3
MFCD00619598
O=C(C1=C(C)NC2=C(C1c1ccccc1Br)C(=O)CC(C2)(C)C)OC1CCCC1
STK011013
ZINC000019315247
ZINC000019315250

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Available files

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