Vitas-M small molecule compound
2-chlorophenyl 3-(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
STK286475
SMILES O=C(c1cccc(c1)N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)Oc1ccccc1Cl
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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 C31H20ClNO4 MW 505.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H20ClNO4/c32-23-14-5-6-15-24(23)37-31(36)17-8-7-9-18(16-17)33-29(34)27-25-19-10-1-2-11-20(19)26(28(27)30(33)35)22-13-4-3-12-21(22)25/h1-16,25-28HInChIKey
HBKBOWHKEHTENE-UHFFFAOYSA-NSynonyms
521300-57-22chlorophenyl3(1214dioxo11121415tetrahydro9H910(34)epipyrroloanthracen13(10H)yl)benzoate
2chlorophenyl3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
521300572
C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)OC7=CC=CC=C7Cl
InChI=1SC31H20ClNO4c322314561524(23)3731(36)1787918(1617)3329(34)27251910121120(19)26(28(27)30(33)35)2213431221(22)25h1162528H
MFCD03576982
ZINC000002253468
ZINC000018155693
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