Vitas-M small molecule compound
4-(1-methyl-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
STK133551
SMILES Clc1ccc(cc1)C(=O)Oc1ccc(cc1)C1C2=C(Nc3c1c(=O)[nH]c(=O)n3C)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 C28H18ClN3O5 MW 511.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18ClN3O5/c1-32-25-22(26(34)31-28(32)36)20(21-23(30-25)18-4-2-3-5-19(18)24(21)33)14-8-12-17(13-9-14)37-27(35)15-6-10-16(29)11-7-15/h2-13,20,30H,1H3,(H,31,34,36)InChIKey
ITSNNBPCBOPCQQ-UHFFFAOYSA-NSynonyms
4(1methyl246trioxo2345611hexahydro1Hindeno(2156)pyrido(23d)pyrimidin5yl)phenyl4chlorobenzoate
Clc1ccc(cc1)C(=O)Oc1ccc(cc1)C1C2=C(Nc3c1c(=O)(nH)c(=O)n3C)c1c(C2=O)cccc1
CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)Cl)C(=O)NC1=O
InChI=1SC28H18ClN3O5c1322522(26(34)3128(32)36)20(2123(3025)18423519(18)24(21)33)1481217(13914)3727(35)1561016(29)11715h2132030H1H3(H313436)
MFCD03164992
ZINC000001146278
ZINC000001146280
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