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 benzoate (non-preferred name)
Catalog ID
STK376692
SMILES O=C1N(c2cccc(c2)OC(=O)c2ccccc2)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 C31H21NO4 MW 471.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H21NO4/c33-29-27-25-21-13-4-5-14-22(21)26(24-16-7-6-15-23(24)25)28(27)30(34)32(29)19-11-8-12-20(17-19)36-31(35)18-9-2-1-3-10-18/h1-17,25-28HInChIKey
HWYWVSVKZPGSLT-UHFFFAOYSA-NSynonyms
3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)phenylbenzoate(nonpreferredname)
C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI=1SC31H21NO4c332927252113451422(21)26(2416761523(24)25)28(27)30(34)32(29)191181220(1719)3631(35)1892131018h1172528H
MFCD01363110
ZINC000004178582
ZINC000017919608
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