Vitas-M small molecule compound
2-(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)-2-oxoethyl 6-(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)hexanoate (non-preferred name)
Catalog ID
STK290070
SMILES O=C(OCC(=O)c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)CCCCCN1C(=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 C39H35NO8S MW 677.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H35NO8S/c1-24-14-20-27(21-15-24)49(45,46)48-26-18-16-25(17-19-26)32(41)23-47-33(42)13-3-2-8-22-40-38(43)36-34-28-9-4-5-10-29(28)35(37(36)39(40)44)31-12-7-6-11-30(31)34/h4-7,9-12,14-21,34-37H,2-3,8,13,22-23H2,1H3InChIKey
JZCQPNKXZNGCJT-UHFFFAOYSA-NSynonyms
2(4(((4methylphenyl)sulfonyl)oxy)phenyl)2oxoethyl6(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)hexanoate(nonpreferredname)
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCCCCN3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI=1SC39H35NO8Sc124142027(211524)49(4546)4826181625(171926)32(41)234733(42)13328224038(43)3634289451029(28)35(37(36)39(40)44)3112761130(31)34h4791214213437H238132223H21H3
MFCD03900978
ZINC000097949228
ZINC000097949230
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