Vitas-M small molecule compound
methyl 2-chloro-5-(1-methyl-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
STL387087
SMILES COC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C1=O)C1(C)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 C27H20ClNO4 MW 457.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClNO4/c1-27-18-9-5-3-7-15(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)33-2/h3-13,21-23H,1-2H3InChIKey
ULAYBHWUUCSVTP-UHFFFAOYSA-NSynonyms
CC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC(=C(C=C6)Cl)C(=O)OC
InChI=1SC27H20ClNO4c12718953715(18)21(168461019(16)27)2223(27)25(31)29(24(22)30)14111220(28)17(1314)26(32)332h3132123H12H3
methyl2chloro5(1methyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
MFCD01142142
ZINC000000653682
ZINC000000653687
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