Vitas-M small molecule compound
2-(propan-2-yloxy)ethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK035430
SMILES CC(OCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[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 C24H30N2O6 MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N2O6/c1-14(2)31-10-11-32-23(28)20-15(3)25-18-12-24(4,5)13-19(27)22(18)21(20)16-6-8-17(9-7-16)26(29)30/h6-9,14,21,25H,10-13H2,1-5H3InChIKey
ACAIXZHGKFATEX-UHFFFAOYSA-NSynonyms
2(propan2yloxy)ethyl277trimethyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
2propan2yloxyethyl277trimethyl4(4nitrophenyl)5oxo1468tetrahydroquinoline3carboxylate
CC(OCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)(C)C)C
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)OCCOC(C)C
InChI=1SC24H30N2O6c114(2)3110113223(28)2015(3)25181224(45)1319(27)22(18)21(20)166817(9716)26(29)30h69142125H1013H215H3
MFCD02104500
STK035430
ZINC000002775234
ZINC000002775235
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