Vitas-M small molecule compound
2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK373596
SMILES N#CC1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])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 C20H19N3O5 MW 381.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5/c1-10-12(8-21)18(19-13(22-10)6-20(2,3)7-15(19)24)11-4-16-17(28-9-27-16)5-14(11)23(25)26/h4-5,18,22H,6-7,9H2,1-3H3InChIKey
LVFDZRKZRNDBJE-UHFFFAOYSA-NSynonyms
277trimethyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carbonitrile
277trimethyl4(6nitro13benzodioxol5yl)5oxo1468tetrahydroquinoline3carbonitrile
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C#N
InChI=1SC20H19N3O5c11012(821)18(1913(2210)620(23)715(19)24)1141617(2892716)514(11)23(25)26h451822H679H213H3
MFCD00785479
N#CC1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CC(C2)(C)C
ZINC000019805621
ZINC000019805623
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