Vitas-M small molecule compound
2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-4-(methylsulfanyl)butanoate
Catalog ID
STK359322
SMILES CSCCC(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)C(=O)OCC(=O)c1ccc(c(c1)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 C26H29NO5S MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO5S/c1-13-4-5-15(10-14(13)2)21(28)12-32-26(31)20(8-9-33-3)27-24(29)22-16-6-7-17(19-11-18(16)19)23(22)25(27)30/h4-7,10,16-20,22-23H,8-9,11-12H2,1-3H3InChIKey
PUENTIOGXWXVIK-UHFFFAOYSA-NSynonyms
2(34dimethylphenyl)2oxoethyl2(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)4(methylsulfanyl)butanoate
CC1=C(C=C(C=C1)C(=O)COC(=O)C(CCSC)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5)C
InChI=1SC26H29NO5Sc1134515(1014(13)2)21(28)123226(31)20(89333)2724(29)22166717(191118(16)19)23(22)25(27)30h471016202223H891112H213H3
MFCD02314586
ZINC000239174338
ZINC000239174341
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