Vitas-M small molecule compound
3-(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)benzoic acid (non-preferred name)
Catalog ID
STK258027
SMILES O=C1N(c2cccc(c2)C(=O)O)C(=O)C2C1C1(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 C27H21NO4 MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO4/c1-26-17-10-3-5-12-19(17)27(2,20-13-6-4-11-18(20)26)22-21(26)23(29)28(24(22)30)16-9-7-8-15(14-16)25(31)32/h3-14,21-22H,1-2H3,(H,31,32)InChIKey
GRYNUPJCHQDLHL-UHFFFAOYSA-NSynonyms
3(18dimethyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoicacid(nonpreferredname)
CC12C3C(C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)O)C(C5=CC=CC=C51)(C6=CC=CC=C26)C
InChI=1SC27H21NO4c1261710351219(17)27(22013641118(20)26)2221(26)23(29)28(24(22)30)1697815(1416)25(31)32h3142122H12H3(H3132)
MFCD00750675
ZINC000009425859
ZINC000009425862
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