Vitas-M small molecule compound
pentadecyl 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
STK268761
SMILES CCCCCCCCCCCCCCCOC(=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 C40H47NO4 MW 605.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-27-45-40(44)28-23-25-29(26-24-28)41-38(42)36-34-30-19-14-15-20-31(30)35(37(36)39(41)43)33-22-17-16-21-32(33)34/h14-17,19-26,34-37H,2-13,18,27H2,1H3InChIKey
LCXJYHMIABKGAE-UHFFFAOYSA-NSynonyms
CCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC40H47NO4c1234567891011121318274540(44)28232529(262428)4138(42)3634301914152031(30)35(37(36)39(41)43)332217162132(33)34h141719263437H2131827H21H3
MFCD01362132
pentadecyl4(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
ZINC000008449704
ZINC000008449706
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