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 4-bromobenzoate
Catalog ID
STL444792
SMILES Brc1ccc(cc1)C(=O)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 C29H20BrN3O5 MW 570.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20BrN3O5/c1-32-26-23(27(35)33(2)29(32)37)21(22-24(31-26)19-5-3-4-6-20(19)25(22)34)15-9-13-18(14-10-15)38-28(36)16-7-11-17(30)12-8-16/h3-14,21,31H,1-2H3InChIKey
NYAITKABZWQGIO-UHFFFAOYSA-NSynonyms
4(13dimethyl246trioxo2345611hexahydro1Hindeno(2156)pyrido(23d)pyrimidin5yl)phenyl4bromobenzoate
CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)Br)C(=O)N(C1=O)C
InChI=1SC29H20BrN3O5c1322623(27(35)33(2)29(32)37)21(2224(3126)19534620(19)25(22)34)1591318(141015)3828(36)1671117(30)12816h3142131H12H3
MFCD03756733
ZINC000001094500
ZINC000001094501
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