Vitas-M small molecule compound
diethyl 4-(3-methoxy-4-{[(3-nitrophenyl)carbonyl]oxy}phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK821547
SMILES CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OC(=O)c1cccc(c1)[N+](=O)[O-])C(=O)OCC)C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H28N2O9 MW 524.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O9/c1-6-36-26(31)22-15(3)28-16(4)23(27(32)37-7-2)24(22)17-11-12-20(21(14-17)35-5)38-25(30)18-9-8-10-19(13-18)29(33)34/h8-14,24,28H,6-7H2,1-5H3InChIKey
IQDRVQZURSEFLS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OC(=O)c1cccc(c1)(N+)(=O)(O))C(=O)OCC)C
CCOC(=O)C1=C(NC(=C(C1C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O))OC)C(=O)OCC)C)C
diethyl4(3methoxy4(((3nitrophenyl)carbonyl)oxy)phenyl)26dimethyl14dihydropyridine35dicarboxylate
diethyl4(3methoxy4(3nitrobenzoyl)oxyphenyl)26dimethyl14dihydropyridine35dicarboxylate
InChI=1SC27H28N2O9c163626(31)2215(3)2816(4)23(27(32)3772)24(22)17111220(21(1417)355)3825(30)18981019(1318)29(33)34h8142428H67H215H3
MFCD03462870
ZINC000026964873
ZINC26964873
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