Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(5-bromo-2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK026744
SMILES COc1ccc(cc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC1CCCO1)Br
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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 C25H30BrNO5 MW 504.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30BrNO5/c1-14-21(24(29)32-13-16-6-5-9-31-16)22(17-10-15(26)7-8-20(17)30-4)23-18(27-14)11-25(2,3)12-19(23)28/h7-8,10,16,22,27H,5-6,9,11-13H2,1-4H3InChIKey
LRVNTWKVTBZGAU-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C=CC(=C3)Br)OC)C(=O)OCC4CCCO4
COc1ccc(cc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC1CCCO1)Br
InChI=1SC25H30BrNO5c11421(24(29)3213166593116)22(171015(26)7820(17)304)2318(2714)1125(23)1219(23)28h7810162227H5691113H214H3
MFCD02188594
oxolan2ylmethyl4(5bromo2methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK026744
tetrahydrofuran2ylmethyl4(5bromo2methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ZINC000001221135
ZINC000001221138
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