Vitas-M small molecule compound
4-(1,8-dibromo-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)benzoic acid (non-preferred name)
Catalog ID
STK268438
SMILES O=C1N(c2ccc(cc2)C(=O)O)C(=O)C2C1C1(Br)c3c(C2(Br)c2c1cccc2)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 C25H15Br2NO4 MW 553.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H15Br2NO4/c26-24-15-5-1-2-6-16(15)25(27,18-8-4-3-7-17(18)24)20-19(24)21(29)28(22(20)30)14-11-9-13(10-12-14)23(31)32/h1-12,19-20H,(H,31,32)InChIKey
GKGDYTLWUINVEC-UHFFFAOYSA-NSynonyms
4(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoicacid(nonpreferredname)
4(910dibromo1214dioxo11121415tetrahydro9H910(34)epipyrroloanthracen13(10H)yl)benzoicacid
C1=CC=C2C(=C1)C3(C4C(C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)O)Br
InChI=1SC25H15Br2NO4c262415512616(15)25(2718843717(18)24)2019(24)21(29)28(22(20)30)1411913(101214)23(31)32h1121920H(H3132)
MFCD01156452
ZINC000001878880
ZINC000001878886
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