Vitas-M small molecule compound
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)phenyl 3-methoxybenzoate (non-preferred name)
Catalog ID
STK268873
SMILES COc1cccc(c1)C(=O)Oc1cccc(c1)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 C32H23NO5 MW 501.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H23NO5/c1-37-20-10-6-8-18(16-20)32(36)38-21-11-7-9-19(17-21)33-30(34)28-26-22-12-2-3-13-23(22)27(29(28)31(33)35)25-15-5-4-14-24(25)26/h2-17,26-29H,1H3InChIKey
BZQZQMNVACSJLA-UHFFFAOYSA-NSynonyms
3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)phenyl3methoxybenzoate(nonpreferredname)
COC1=CC=CC(=C1)C(=O)OC2=CC=CC(=C2)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI=1SC32H23NO5c13720106818(1620)32(36)3821117919(1721)3330(34)28262212231323(22)27(29(28)31(33)35)2515541424(25)26h2172629H1H3
MFCD01363106
ZINC000000990654
ZINC000018247105
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