Vitas-M small molecule compound
2-butoxyethyl 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
STK268991
SMILES CCCCOCCOC(=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 C31H29NO5 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29NO5/c1-2-3-16-36-17-18-37-31(35)19-12-14-20(15-13-19)32-29(33)27-25-21-8-4-5-9-22(21)26(28(27)30(32)34)24-11-7-6-10-23(24)25/h4-15,25-28H,2-3,16-18H2,1H3InChIKey
OPHSHQMKHIYLLI-UHFFFAOYSA-NSynonyms
2butoxyethyl4(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
CCCCOCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC31H29NO5c123163617183731(35)19121420(151319)3229(33)272521845922(21)26(28(27)30(32)34)2411761023(24)25h4152528H231618H21H3
MFCD01577742
ZINC000002078618
ZINC000018247131
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