Vitas-M small molecule compound
pentyl 4-(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
STK267636
SMILES CCCCCOC(=O)c1ccc(cc1)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 C30H27NO4 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27NO4/c1-2-3-8-17-35-30(34)18-13-15-19(16-14-18)31-28(32)26-24-20-9-4-5-10-21(20)25(27(26)29(31)33)23-12-7-6-11-22(23)24/h4-7,9-16,24-27H,2-3,8,17H2,1H3InChIKey
XVZTXXSRWHBBCS-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC30H27NO4c1238173530(34)18131519(161418)3128(32)2624209451021(20)25(27(26)29(31)33)2312761122(23)24h479162427H23817H21H3
MFCD00320912
pentyl4(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
ZINC000002027945
ZINC000018246840
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