Vitas-M small molecule compound
methyl 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)benzoate (non-preferred name)
Catalog ID
STK264338
SMILES COC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C1=O)C1(CC)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 C28H22ClNO4 MW 471.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClNO4/c1-3-28-19-10-6-4-8-16(19)22(17-9-5-7-11-20(17)28)23-24(28)26(32)30(25(23)31)15-12-13-21(29)18(14-15)27(33)34-2/h4-14,22-24H,3H2,1-2H3InChIKey
AJRZDGXCGOEGCX-UHFFFAOYSA-NSynonyms
CCC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC(=C(C=C6)Cl)C(=O)OC
InChI=1SC28H22ClNO4c1328191064816(19)22(179571120(17)28)2324(28)26(32)30(25(23)31)15121321(29)18(1415)27(33)342h4142224H3H212H3
methyl2chloro5(1ethyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
MFCD01802343
ZINC000009968536
ZINC000009968539
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Check stock on Vitas-MAvailable files
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