Vitas-M small molecule compound
benzyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363400
SMILES CCOc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1
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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/c1-5-34-22-12-18(11-19(29)26(22)32)24-23(27(33)35-15-17-9-7-6-8-10-17)16(2)30-20-13-28(3,4)14-21(31)25(20)24/h6-12,24,30,32H,5,13-15H2,1-4H3InChIKey
IZMCAKRLTWYODX-UHFFFAOYSA-NSynonyms
313244-91-6313244916
benzyl4(3bromo5ethoxy4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(3bromo5ethoxy4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=CC=C4)C)Br)O
InChI=1SC28H30BrNO5c1534221218(1119(29)26(22)32)2423(27(33)35151797681017)16(2)30201328(34)1421(31)25(20)24h612243032H51315H214H3
MFCD01367268
ZINC000004067425
ZINC000004067426
Check stock
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