Vitas-M small molecule compound
5-methyl-2-(propan-2-yl)cyclohexyl 3-(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
STK268569
SMILES CC1CCC(C(C1)OC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)C(C)C
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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 C35H35NO4 MW 533.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35NO4/c1-19(2)23-16-15-20(3)17-28(23)40-35(39)21-9-8-10-22(18-21)36-33(37)31-29-24-11-4-5-12-25(24)30(32(31)34(36)38)27-14-7-6-13-26(27)29/h4-14,18-20,23,28-32H,15-17H2,1-3H3InChIKey
BFSVTJCSVHKUIS-UHFFFAOYSA-NSynonyms
5methyl2(propan2yl)cyclohexyl3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
CC1CCC(C(C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57)C(C)C
InChI=1SC35H35NO4c119(2)23161520(3)1728(23)4035(39)21981022(1821)3633(37)31292411451225(24)30(32(31)34(36)38)2714761326(27)29h4141820232832H1517H213H3
MFCD01174524
ZINC000004174441
ZINC000239275132
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