Vitas-M small molecule compound
2-(3,4-dimethylphenyl)-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
STK268988
SMILES O=C(CN1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)cccc3)OCC(=O)c1ccc(c(c1)C)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 C30H23Br2NO5 MW 637.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23Br2NO5/c1-16-11-12-18(13-17(16)2)23(34)15-38-24(35)14-33-27(36)25-26(28(33)37)30(32)20-8-4-3-7-19(20)29(25,31)21-9-5-6-10-22(21)30/h3-13,25-26H,14-15H2,1-2H3InChIKey
DMBNLZNJUQVIFV-UHFFFAOYSA-NSynonyms
2(34dimethylphenyl)2oxoethyl(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)acetate(nonpreferredname)
CC1=C(C=C(C=C1)C(=O)COC(=O)CN2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br)C
InChI=1SC30H23Br2NO5c116111218(1317(16)2)23(34)153824(35)143327(36)2526(28(33)37)30(32)20843719(20)29(2531)219561022(21)30h3132526H1415H212H3
MFCD01577493
ZINC000097949061
ZINC000097949063
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