Vitas-M small molecule compound
2-chloro-5-(1-ethyl-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
STK264319
SMILES CCC12C3C(=O)N(C(=O)C3C(c3c1cccc3)c1c2cccc1)c1ccc(c(c1)C(=O)O)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 C27H20ClNO4 MW 457.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClNO4/c1-2-27-18-9-5-3-7-15(18)21(16-8-4-6-10-19(16)27)22-23(27)25(31)29(24(22)30)14-11-12-20(28)17(13-14)26(32)33/h3-13,21-23H,2H2,1H3,(H,32,33)InChIKey
LLMWJBZTHJLJTR-UHFFFAOYSA-NSynonyms
2chloro5(1ethyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoicacid(nonpreferredname)
CCC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC(=C(C=C6)Cl)C(=O)O
InChI=1SC27H20ClNO4c122718953715(18)21(168461019(16)27)2223(27)25(31)29(24(22)30)14111220(28)17(1314)26(32)33h3132123H2H21H3(H3233)
MFCD01802329
ZINC000009968544
ZINC000009968547
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