Vitas-M small molecule compound
pentyl 2-(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
STK247307
SMILES CCCCCOC(=O)c1ccccc1N1C(=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/c1-2-3-10-17-35-30(34)22-15-8-9-16-23(22)31-28(32)26-24-18-11-4-5-12-19(18)25(27(26)29(31)33)21-14-7-6-13-20(21)24/h4-9,11-16,24-27H,2-3,10,17H2,1H3InChIKey
CULLKSFBUVAFPV-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=CC=CC=C1N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC30H27NO4c12310173530(34)2215891623(22)3128(32)26241811451219(18)25(27(26)29(31)33)2114761320(21)24h4911162427H231017H21H3
MFCD01362229
pentyl2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
ZINC000002068407
ZINC000013616085
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