Vitas-M small molecule compound
pentyl 4-(2-bromo-4,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK376770
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1Br)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 C26H34BrNO5 MW 520.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34BrNO5/c1-7-8-9-10-33-25(30)22-15(2)28-18-13-26(3,4)14-19(29)24(18)23(22)16-11-20(31-5)21(32-6)12-17(16)27/h11-12,23,28H,7-10,13-14H2,1-6H3InChIKey
OHJFWXHILBGPBW-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3Br)OC)OC)C(=O)CC(C2)(C)C)C
InChI=1SC26H34BrNO5c1789103325(30)2215(2)28181326(34)1419(29)24(18)23(22)161120(315)21(326)1217(16)27h11122328H7101314H216H3
MFCD01367198
pentyl4(2bromo45dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(2bromo45dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000002095247
ZINC000002095251
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Check stock on Vitas-MAvailable files
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