Vitas-M small molecule compound
4-(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 phenyl(phenylsulfanyl)acetate
Catalog ID
STK095733
SMILES O=C(C(c1ccccc1)Sc1ccccc1)Oc1ccc(cc1)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 C36H27N3O5S MW 613.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H27N3O5S/c1-38-33-29(34(41)39(2)36(38)43)27(28-30(37-33)25-15-9-10-16-26(25)31(28)40)21-17-19-23(20-18-21)44-35(42)32(22-11-5-3-6-12-22)45-24-13-7-4-8-14-24/h3-20,27,32,37H,1-2H3InChIKey
DAHNGKXLYJMOSA-UHFFFAOYSA-NSynonyms
4(13dimethyl246trioxo2345611hexahydro1Hindeno(2156)pyrido(23d)pyrimidin5yl)phenylphenyl(phenylsulfanyl)acetate
CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC(=O)C(C6=CC=CC=C6)SC7=CC=CC=C7)C(=O)N(C1=O)C
InChI=1SC36H27N3O5Sc1383329(34(41)39(2)36(38)43)27(2830(3733)25159101626(25)31(28)40)21171923(201821)4435(42)32(22115361222)4524137481424h320273237H12H3
MFCD02238612
O=C(C(c1ccccc1)Sc1ccccc1)Oc1ccc(cc1)C1C2=C(Nc3c1c(=O)n(c(=O)n3C)C)c1c(C2=O)cccc1
STK095733
ZINC000098045157
ZINC000098045160
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