Vitas-M small molecule compound
methyl 2-chloro-5-(1,8-dimethyl-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
STK258091
SMILES COC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C1=O)C1(C)c3c(C2(C)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 C28H22ClNO4 MW 471.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClNO4/c1-27-17-8-4-6-10-19(17)28(2,20-11-7-5-9-18(20)27)23-22(27)24(31)30(25(23)32)15-12-13-21(29)16(14-15)26(33)34-3/h4-14,22-23H,1-3H3InChIKey
GGLPCIOFOGIGOZ-UHFFFAOYSA-NSynonyms
CC12C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)C(=O)OC)C(C5=CC=CC=C51)(C6=CC=CC=C26)C
InChI=1SC28H22ClNO4c127178461019(17)28(2201175918(20)27)2322(27)24(31)30(25(23)32)15121321(29)16(1415)26(33)343h4142223H13H3
methyl2chloro5(18dimethyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
MFCD02052047
ZINC000000653795
ZINC000017860025
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