Vitas-M small molecule compound
methyl 4-(1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name)
Catalog ID
STK268702
SMILES COC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(Br)c3c(C2c2c1cccc2)cccc3
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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 C26H18BrNO4 MW 488.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18BrNO4/c1-32-25(31)14-10-12-15(13-11-14)28-23(29)21-20-16-6-2-4-8-18(16)26(27,22(21)24(28)30)19-9-5-3-7-17(19)20/h2-13,20-22H,1H3InChIKey
DKOVIQGHZJNUQZ-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)Br
InChI=1SC26H18BrNO4c13225(31)14101215(131114)2823(29)212016624818(16)26(2722(21)24(28)30)19953717(19)20h2132022H1H3
methyl4(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
MFCD01179504
ZINC000002078147
ZINC000002078150
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