Vitas-M small molecule compound
4-(11-acetyl-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)-2-bromo-6-methoxyphenyl acetate
Catalog ID
STK167607
SMILES COc1cc(cc(c1OC(=O)C)Br)C1C2=C(c3c(C2=O)cccc3)N(c2c1c(=O)n(C)c(=O)n2C)C(=O)C
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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 C27H22BrN3O7 MW 580.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22BrN3O7/c1-12(32)31-22-15-8-6-7-9-16(15)23(34)20(22)19(21-25(31)29(3)27(36)30(4)26(21)35)14-10-17(28)24(38-13(2)33)18(11-14)37-5/h6-11,19H,1-5H3InChIKey
RIOJQLFZKADBAK-UHFFFAOYSA-NSynonyms
4(11acetyl13dimethyl246trioxo2345611hexahydro1Hindeno(2156)pyrido(23d)pyrimidin5yl)2bromo6methoxyphenylacetate
CC(=O)N1C2=C(C(C3=C1N(C(=O)N(C3=O)C)C)C4=CC(=C(C(=C4)Br)OC(=O)C)OC)C(=O)C5=CC=CC=C52
InChI=1SC27H22BrN3O7c112(32)312215867916(15)23(34)20(22)19(2125(31)29(3)27(36)30(4)26(21)35)141017(28)24(3813(2)33)18(1114)375h61119H15H3
MFCD02127988
ZINC000100415658
ZINC000100415664
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