Vitas-M small molecule compound
2-methoxyethyl 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
STK058073
SMILES COCCOC(=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 C23H26BrNO6 MW 492.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26BrNO6/c1-12-19(22(27)29-6-5-28-4)20(13-7-17-18(8-14(13)24)31-11-30-17)21-15(25-12)9-23(2,3)10-16(21)26/h7-8,20,25H,5-6,9-11H2,1-4H3InChIKey
KAYSRIRJOPZUIT-UHFFFAOYSA-NSynonyms
299450-56-9299450569
2methoxyethyl4(6bromo13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl4(6bromo13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3Br)OCO4)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)(C)C
InChI=1SC23H26BrNO6c11219(22(27)2965284)20(1371718(814(13)24)31113017)2115(2512)923(23)1016(21)26h782025H56911H214H3
MFCD00770952
STK058073
ZINC000100495985
ZINC000100495989
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