Vitas-M small molecule compound
4-methoxybenzyl 4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK036557
SMILES COc1ccc(cc1)COC(=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 C28H30BrNO5 MW 540.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrNO5/c1-16-24(27(32)35-15-17-6-9-19(33-4)10-7-17)25(18-8-11-23(34-5)20(29)12-18)26-21(30-16)13-28(2,3)14-22(26)31/h6-12,25,30H,13-15H2,1-5H3InChIKey
BRDGIIVAXMLQKB-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl4(3bromo4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
4methoxybenzyl4(3bromo4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)Br)C(=O)OCC4=CC=C(C=C4)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)OC)C(=O)CC(C2)(C)C
InChI=1SC28H30BrNO5c11624(27(32)3515176919(334)10717)25(1881123(345)20(29)1218)2621(3016)1328(23)1422(26)31h6122530H1315H215H3
MFCD01814418
STK036557
ZINC000000861167
ZINC000000861168
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