Vitas-M small molecule compound
3-(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)propanoic acid (non-preferred name)
Catalog ID
STK268678
SMILES OC(=O)CCN1C(=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 C21H16BrNO4 MW 426.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrNO4/c22-21-13-7-3-1-5-11(13)16(12-6-2-4-8-14(12)21)17-18(21)20(27)23(19(17)26)10-9-15(24)25/h1-8,16-18H,9-10H2,(H,24,25)InChIKey
OGYWZRYGIQECNN-UHFFFAOYSA-NSynonyms
3(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)propanoicacid(nonpreferredname)
C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)Br)C(=O)N(C4=O)CCC(=O)O
InChI=1SC21H16BrNO4c222113731511(13)16(12624814(12)21)1718(21)20(27)23(19(17)26)10915(24)25h181618H910H2(H2425)
MFCD01174887
ZINC000002079035
ZINC000002079038
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