Vitas-M small molecule compound
ethyl 3-(4,11-di-tert-butyl-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
STL171291
SMILES CCOC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1c3c(C2c2c1ccc(c2)C(C)(C)C)ccc(c3)C(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 C35H37NO4 MW 535.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H37NO4/c1-8-40-33(39)19-10-9-11-22(16-19)36-31(37)29-27-24-15-13-21(35(5,6)7)18-26(24)28(30(29)32(36)38)23-14-12-20(17-25(23)27)34(2,3)4/h9-18,27-30H,8H2,1-7H3InChIKey
AGZJLDKWAFEKRI-UHFFFAOYSA-NSynonyms
489407-93-4489407934
CCOC(=O)C1=CC(=CC=C1)N2C(=O)C3C(C2=O)C4C5=C(C3C6=C4C=C(C=C6)C(C)(C)C)C=C(C=C5)C(C)(C)C
ethyl3(411ditertbutyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
InChI=1SC35H37NO4c184033(39)191091122(1619)3631(37)292724151321(35(56)7)1826(24)28(30(29)32(36)38)23141220(1725(23)27)34(23)4h9182730H8H217H3
MFCD01834570
ZINC000102436727
ZINC000103121807
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