Vitas-M small molecule compound
2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-3-(piperidin-1-ylcarbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Catalog ID
STK373222
SMILES CC1=C(C(=O)N2CCCCC2)C(C2=C(N1)CC(C)(C)CC2=O)c1cc2OCOc2cc1[N+](=O)[O-]
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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 C25H29N3O6 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O6/c1-14-21(24(30)27-7-5-4-6-8-27)22(23-16(26-14)11-25(2,3)12-18(23)29)15-9-19-20(34-13-33-19)10-17(15)28(31)32/h9-10,22,26H,4-8,11-13H2,1-3H3InChIKey
IGVZPYVJDJJNDI-UHFFFAOYSA-NSynonyms
277trimethyl4(6nitro13benzodioxol5yl)3(piperidin1ylcarbonyl)4678tetrahydroquinolin5(1H)one
277trimethyl4(6nitro13benzodioxol5yl)3(piperidine1carbonyl)1468tetrahydroquinolin5one
CC1=C(C(=O)N2CCCCC2)C(C2=C(N1)CC(C)(C)CC2=O)c1cc2OCOc2cc1(N+)(=O)(O)
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)N5CCCCC5
InChI=1SC25H29N3O6c11421(24(30)277546827)22(2316(2614)1125(23)1218(23)29)1591920(34133319)1017(15)28(31)32h9102226H481113H213H3
MFCD00778259
ZINC000003099865
ZINC000003099866
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