Vitas-M small molecule compound
propan-2-yl 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
STK268705
SMILES CC(OC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(Br)c3c(C2c2c1cccc2)cccc3)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 C28H22BrNO4 MW 516.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22BrNO4/c1-15(2)34-27(33)16-11-13-17(14-12-16)30-25(31)23-22-18-7-3-5-9-20(18)28(29,24(23)26(30)32)21-10-6-4-8-19(21)22/h3-15,22-24H,1-2H3InChIKey
UHRMETDVENGTOQ-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)Br
InChI=1SC28H22BrNO4c115(2)3427(33)16111317(141216)3025(31)232218735920(18)28(2924(23)26(30)32)211064819(21)22h3152224H12H3
MFCD01179506
propan2yl4(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
ZINC000002060720
ZINC000002060723
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