Vitas-M small molecule compound
methyl 3-(1,8-dimethyl-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
STK258012
SMILES COC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1(C)c3c(C2(C)c2c1cccc2)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 C28H23NO4 MW 437.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23NO4/c1-27-18-11-4-6-13-20(18)28(2,21-14-7-5-12-19(21)27)23-22(27)24(30)29(25(23)31)17-10-8-9-16(15-17)26(32)33-3/h4-15,22-23H,1-3H3InChIKey
TXSSHFNFZVVDHO-UHFFFAOYSA-NSynonyms
CC12C3C(C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)OC)C(C5=CC=CC=C51)(C6=CC=CC=C26)C
InChI=1SC28H23NO4c1271811461320(18)28(22114751219(21)27)2322(27)24(30)29(25(23)31)17108916(1517)26(32)333h4152223H13H3
methyl3(18dimethyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
MFCD02623594
ZINC000001170727
ZINC000017101393
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