Vitas-M small molecule compound
1-(hydroxymethyl)-17-(3-methoxyphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
Catalog ID
STK720167
SMILES COc1cccc(c1)N1C(=O)C2C(C1=O)C1(CO)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 C26H21NO4 MW 411.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21NO4/c1-31-16-8-6-7-15(13-16)27-24(29)22-21-17-9-2-4-11-19(17)26(14-28,23(22)25(27)30)20-12-5-3-10-18(20)21/h2-13,21-23,28H,14H2,1H3InChIKey
DWKVZUIFJHIPAA-UHFFFAOYSA-NSynonyms
1(hydroxymethyl)17(3methoxyphenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
COC1=CC=CC(=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)CO
InChI=1SC26H21NO4c1311686715(1316)2724(29)2221179241119(17)26(142823(22)25(27)30)2012531018(20)21h213212328H14H21H3
MFCD01070704
ZINC000001060755
ZINC000001060761
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