Vitas-M small molecule compound
propyl 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)benzoate (non-preferred name)
Catalog ID
STK268684
SMILES CCCOC(=O)c1cccc(c1)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 C28H22BrNO4 MW 516.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22BrNO4/c1-2-14-34-27(33)16-8-7-9-17(15-16)30-25(31)23-22-18-10-3-5-12-20(18)28(29,24(23)26(30)32)21-13-6-4-11-19(21)22/h3-13,15,22-24H,2,14H2,1H3InChIKey
GDAUPQATOKSQOA-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=CC(=CC=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)Br
InChI=1SC28H22BrNO4c12143427(33)1687917(1516)3025(31)23221810351220(18)28(2924(23)26(30)32)2113641119(21)22h313152224H214H21H3
MFCD01174903
propyl3(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
ZINC000002068224
ZINC000002068227
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