Vitas-M small molecule compound
2-(4-chlorophenyl)-2-oxoethyl (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)acetate (non-preferred name)
Catalog ID
STK268459
SMILES O=C(CN1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)cccc3)OCC(=O)c1ccc(cc1)Cl
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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 C28H18Br2ClNO5 MW 643.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18Br2ClNO5/c29-27-17-5-1-2-6-18(17)28(30,20-8-4-3-7-19(20)27)24-23(27)25(35)32(26(24)36)13-22(34)37-14-21(33)15-9-11-16(31)12-10-15/h1-12,23-24H,13-14H2InChIKey
JTJXYZZEAWJBAJ-UHFFFAOYSA-NSynonyms
2(4chlorophenyl)2oxoethyl(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)acetate(nonpreferredname)
C1=CC=C2C(=C1)C3(C4C(C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)CC(=O)OCC(=O)C6=CC=C(C=C6)Cl)Br
InChI=1SC28H18Br2ClNO5c292717512618(17)28(3020843719(20)27)2423(27)25(35)32(26(24)36)1322(34)371421(33)1591116(31)121015h1122324H1314H2
MFCD01156485
ZINC000004173741
ZINC000004173746
ZINC04173746
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