Vitas-M small molecule compound
methyl 2-chloro-5-(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
STL387084
SMILES COC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C1=O)C1c3c(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 C26H18ClNO4 MW 443.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18ClNO4/c1-32-26(31)18-12-13(10-11-19(18)27)28-24(29)22-20-14-6-2-3-7-15(14)21(23(22)25(28)30)17-9-5-4-8-16(17)20/h2-12,20-23H,1H3InChIKey
NWYAFNXZIXYAFB-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C=CC(=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46)Cl
InChI=1SC26H18ClNO4c13226(31)181213(101119(18)27)2824(29)222014623715(14)21(23(22)25(28)30)17954816(17)20h2122023H1H3
methyl2chloro5(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
MFCD02084456
ZINC000016194048
ZINC000018097862
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