Vitas-M small molecule compound
propan-2-yl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363333
SMILES CCOc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC(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 C24H30BrNO5 MW 492.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30BrNO5/c1-7-30-18-9-14(8-15(25)22(18)28)20-19(23(29)31-12(2)3)13(4)26-16-10-24(5,6)11-17(27)21(16)20/h8-9,12,20,26,28H,7,10-11H2,1-6H3InChIKey
OXHMRPPZHMBOFF-UHFFFAOYSA-NSynonyms
313244-42-7313244427
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC(C)C)C)Br)O
InChI=1SC24H30BrNO5c173018914(815(25)22(18)28)2019(23(29)3112(2)3)13(4)26161024(56)1117(27)21(16)20h8912202628H71011H216H3
MFCD01367211
propan2yl4(3bromo5ethoxy4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(3bromo5ethoxy4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000000844165
ZINC000000844166
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