Vitas-M small molecule compound
prop-2-en-1-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
STK376774
SMILES C=CCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OCC)O)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 C24H28BrNO5 MW 490.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28BrNO5/c1-6-8-31-23(29)19-13(3)26-16-11-24(4,5)12-17(27)21(16)20(19)14-9-15(25)22(28)18(10-14)30-7-2/h6,9-10,20,26,28H,1,7-8,11-12H2,2-5H3InChIKey
VSECHMDKOOIKIU-UHFFFAOYSA-NSynonyms
313244-37-0313244370
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC=C)C)Br)O
InChI=1SC24H28BrNO5c1683123(29)1913(3)26161124(45)1217(27)21(16)20(19)14915(25)22(28)18(1014)3072h6910202628H1781112H225H3
MFCD01367206
prop2en1yl4(3bromo5ethoxy4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
prop2enyl4(3bromo5ethoxy4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000004067363
ZINC000004067364
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