Vitas-M small molecule compound
cyclopentyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363362
SMILES CCOc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)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 C24H28BrNO5 MW 490.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28BrNO5/c1-3-30-19-12-14(11-16(25)23(19)28)21-20(24(29)31-15-7-4-5-8-15)13(2)26-17-9-6-10-18(27)22(17)21/h11-12,15,21,26,28H,3-10H2,1-2H3InChIKey
VGAXDSXAFUCICB-UHFFFAOYSA-NSynonyms
5790-56-75790567
CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OC4CCCC4)C)Br)O
cyclopentyl4(3bromo5ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(3bromo5ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC24H28BrNO5c1330191214(1116(25)23(19)28)2120(24(29)3115745815)13(2)2617961018(27)22(17)21h111215212628H310H212H3
MFCD01191825
ZINC000000844195
ZINC000000844196
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