Vitas-M small molecule compound
3-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-chlorobenzoate
Catalog ID
STK067857
SMILES Clc1ccc(cc1)C(=O)Oc1cccc(c1)C1C2=C(Nc3c1c(=O)n(c(=O)n3C)C)c1c(C2=O)cccc1
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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 C29H20ClN3O5 MW 525.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20ClN3O5/c1-32-26-23(27(35)33(2)29(32)37)21(22-24(31-26)19-8-3-4-9-20(19)25(22)34)16-6-5-7-18(14-16)38-28(36)15-10-12-17(30)13-11-15/h3-14,21,31H,1-2H3InChIKey
UQAFQXJAKHVNAA-UHFFFAOYSA-NSynonyms
3(13dimethyl246trioxo2345611hexahydro1Hindeno(2156)pyrido(23d)pyrimidin5yl)phenyl4chlorobenzoate
Clc1ccc(cc1)C(=O)Oc1cccc(c1)C1C2=C(Nc3c1c(=O)n(c(=O)n3C)C)c1c(C2=O)cccc1
CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC(=CC=C5)OC(=O)C6=CC=C(C=C6)Cl)C(=O)N(C1=O)C
InChI=1SC29H20ClN3O5c1322623(27(35)33(2)29(32)37)21(2224(3126)19834920(19)25(22)34)1665718(1416)3828(36)15101217(30)131115h3142131H12H3
MFCD03010513
STK067857
ZINC000100416195
ZINC000100416200
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