Vitas-M small molecule compound
propan-2-yl 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
STK008206
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])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 C23H26N2O7 MW 442.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O7/c1-11(2)32-22(27)19-12(3)24-14-8-23(4,5)9-16(26)21(14)20(19)13-6-17-18(31-10-30-17)7-15(13)25(28)29/h6-7,11,20,24H,8-10H2,1-5H3InChIKey
HENVBAUQOMXNRX-UHFFFAOYSA-NSynonyms
CC(OC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CC(C2)(C)C)C
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)OC(C)C
InChI=1SC23H26N2O7c111(2)3222(27)1912(3)2414823(45)916(26)21(14)20(19)1361718(31103017)715(13)25(28)29h67112024H810H215H3
MFCD00622812
propan2yl277trimethyl4(6nitro13benzodioxol5yl)5oxo145678hexahydroquinoline3carboxylate
propan2yl277trimethyl4(6nitro13benzodioxol5yl)5oxo1468tetrahydroquinoline3carboxylate
STK008206
ZINC000019227895
ZINC000019227898
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