Vitas-M small molecule compound
methyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK366862
SMILES COC(=O)C1=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 C21H22N2O7 MW 414.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O7/c1-10-17(20(25)28-4)18(19-12(22-10)7-21(2,3)8-14(19)24)11-5-15-16(30-9-29-15)6-13(11)23(26)27/h5-6,18,22H,7-9H2,1-4H3InChIKey
VKIIWNUKHQPRCD-UHFFFAOYSA-NSynonyms
292855-60-8292855608
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CC(C2)(C)C
InChI=1SC21H22N2O7c11017(20(25)284)18(1912(2210)721(23)814(19)24)1151516(3092915)613(11)23(26)27h561822H79H214H3
methyl277trimethyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
methyl277trimethyl4(6nitro13benzodioxol5yl)5oxo1468tetrahydroquinoline3carboxylate
MFCD00345075
ZINC000019300851
ZINC000019300852
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