Vitas-M small molecule compound
2-(4-chlorophenyl)-2-oxoethyl 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
STK268709
SMILES Clc1ccc(cc1)C(=O)COC(=O)c1ccc(cc1)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 C33H21BrClNO5 MW 626.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H21BrClNO5/c34-33-24-7-3-1-5-22(24)27(23-6-2-4-8-25(23)33)28-29(33)31(39)36(30(28)38)21-15-11-19(12-16-21)32(40)41-17-26(37)18-9-13-20(35)14-10-18/h1-16,27-29H,17H2InChIKey
MZXXHTYVHLEHIA-UHFFFAOYSA-NSynonyms
2(4chlorophenyl)2oxoethyl4(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)Br)C(=O)N(C4=O)C6=CC=C(C=C6)C(=O)OCC(=O)C7=CC=C(C=C7)Cl
InChI=1SC33H21BrClNO5c343324731522(24)27(23624825(23)33)2829(33)31(39)36(30(28)38)21151119(121621)32(40)411726(37)1891320(35)141018h1162729H17H2
MFCD01179510
ZINC000008426108
ZINC000008426114
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