Vitas-M small molecule compound
propyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK042226
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)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 C23H26BrNO5 MW 476.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26BrNO5/c1-5-6-28-22(27)19-12(2)25-15-9-23(3,4)10-16(26)21(15)20(19)13-7-17-18(8-14(13)24)30-11-29-17/h7-8,20,25H,5-6,9-11H2,1-4H3InChIKey
BAXFFCIYTOWZQQ-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)(C)C
CCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)CC(C2)(C)C)C
InChI=1SC23H26BrNO5c1562822(27)1912(2)2515923(34)1016(26)21(15)20(19)1371718(814(13)24)30112917h782025H56911H214H3
MFCD00770910
propyl4(6bromo13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
propyl4(6bromo13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK042226
ZINC000002063603
ZINC000002063604
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