Vitas-M small molecule compound
propan-2-yl 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
STK074297
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)(C)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/c1-11(2)30-22(27)19-12(3)25-15-8-23(4,5)9-16(26)21(15)20(19)13-6-17-18(7-14(13)24)29-10-28-17/h6-7,11,20,25H,8-10H2,1-5H3InChIKey
ZLXPUIUWBLVWNR-UHFFFAOYSA-NSynonyms
300667-68-9300667689
CC(OC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)(C)C)C
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3Br)OCO4)C(=O)OC(C)C
InChI=1SC23H26BrNO5c111(2)3022(27)1912(3)2515823(45)916(26)21(15)20(19)1361718(714(13)24)29102817h67112025H810H215H3
MFCD00622810
propan2yl4(6bromo13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(6bromo13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK074297
ZINC000019227887
ZINC000019227890
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