Vitas-M small molecule compound
3,3-dimethyl-2-oxobutyl 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
STK383345
SMILES O=C1N(c2cccc(c2)C(=O)OCC(=O)C(C)(C)C)C(=O)C2C1C1c3ccccc3C2c2c1cccc2
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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 C31H27NO5 MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27NO5/c1-31(2,3)23(33)16-37-30(36)17-9-8-10-18(15-17)32-28(34)26-24-19-11-4-5-12-20(19)25(27(26)29(32)35)22-14-7-6-13-21(22)24/h4-15,24-27H,16H2,1-3H3InChIKey
AQCJBYMYMAVDNV-UHFFFAOYSA-NSynonyms
33dimethyl2oxobutyl3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
CC(C)(C)C(=O)COC(=O)C1=CC(=CC=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC31H27NO5c131(23)23(33)163730(36)17981018(1517)3228(34)26241911451220(19)25(27(26)29(32)35)2214761321(22)24h4152427H16H213H3
MFCD03835757
ZINC000015946319
ZINC000018268460
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