Vitas-M small molecule compound

tetrahydrofuran-2-ylmethyl 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
STK061548
SMILES O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)(C)C)OCC1CCCO1

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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 C25H28BrNO6 MW 518.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28BrNO6/c1-13-21(24(29)31-11-14-5-4-6-30-14)22(15-7-19-20(8-16(15)26)33-12-32-19)23-17(27-13)9-25(2,3)10-18(23)28/h7-8,14,22,27H,4-6,9-12H2,1-3H3
InChIKey
OZAFYPGWBWUDRY-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3Br)OCO4)C(=O)OCC5CCCO5
InChI=1SC25H28BrNO6c11321(24(29)3111145463014)22(1571920(816(15)26)33123219)2317(2713)925(23)1018(23)28h78142227H46912H213H3
MFCD01823502
O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)(C)C)OCC1CCCO1
oxolan2ylmethyl4(6bromo13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK061548
tetrahydrofuran2ylmethyl4(6bromo13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ZINC000000861187
ZINC000000861190

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Available files

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