Vitas-M small molecule compound
methyl 2-chloro-5-(1-formyl-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
STK264399
SMILES COC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C1=O)C1(C=O)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 C27H18ClNO5 MW 471.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClNO5/c1-34-26(33)17-12-14(10-11-20(17)28)29-24(31)22-21-15-6-2-4-8-18(15)27(13-30,23(22)25(29)32)19-9-5-3-7-16(19)21/h2-13,21-23H,1H3InChIKey
NTWLZRJKFNFNJM-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C=CC(=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)C=O)Cl
InChI=1SC27H18ClNO5c13426(33)171214(101120(17)28)2924(31)222115624818(15)27(133023(22)25(29)32)19953716(19)21h2132123H1H3
methyl2chloro5(1formyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
MFCD01171053
ZINC000000653675
ZINC000000653679
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