Vitas-M small molecule compound

prop-2-en-1-yl 4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK372491
SMILES C=CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)OC)C(=O)CC(C2)(C)C

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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 C23H26BrNO4 MW 460.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26BrNO4/c1-6-9-29-22(27)19-13(2)25-16-11-23(3,4)12-17(26)21(16)20(19)14-7-8-18(28-5)15(24)10-14/h6-8,10,20,25H,1,9,11-12H2,2-5H3
InChIKey
HMABMNHUCKSJNP-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)Br)C(=O)OCC=C
InChI=1SC23H26BrNO4c1692922(27)1913(2)25161123(34)1217(26)21(16)20(19)147818(285)15(24)1014h68102025H191112H225H3
MFCD00717890
prop2en1yl4(3bromo4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
prop2enyl4(3bromo4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000002069360
ZINC000002069361

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Available files

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