Vitas-M small molecule compound
3-(2-hydroxy-3-methoxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxo-5-(propan-2-yl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Catalog ID
STK680983
SMILES CSCCC1(NC(C2C1C(=O)N(C2=O)C(C)C)c1cccc(c1O)OC)C(=O)O
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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 C20H26N2O6S MW 422.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N2O6S/c1-10(2)22-17(24)13-14(18(22)25)20(19(26)27,8-9-29-4)21-15(13)11-6-5-7-12(28-3)16(11)23/h5-7,10,13-15,21,23H,8-9H2,1-4H3,(H,26,27)InChIKey
XIJJZKASKOJNGG-UHFFFAOYSA-NSynonyms
1(2HYDROXY3METHOXYPHENYL)3(2METHYLSULFANYLETHYL)46DIOXO5PROPAN2YL123A6ATETRAHYDROPYRROLO(34C)PYRROL2IUM3CARBOXYLATE
1(2HYDROXY3METHOXYPHENYL)3(2METHYLSULFANYLETHYL)46DIOXO5PROPAN2YL123A6ATETRAHYDROPYRROLO(34C)PYRROLE3CARBOXYLICACID
3(2hydroxy3methoxyphenyl)1(2(methylsulfanyl)ethyl)46dioxo5(propan2yl)octahydropyrrolo(34c)pyrrole1carboxylicacid
CC(C)N1C(=O)C2C(C1=O)C(NC2C3=C(C(=CC=C3)OC)O)(CCSC)C(=O)O
InChI=1SC20H26N2O6Sc110(2)2217(24)1314(18(22)25)20(19(26)2789294)2115(13)1165712(283)16(11)23h571013152123H89H214H3(H2627)
MFCD03767922
ZINC000013139916
ZINC000245236973
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