Vitas-M small molecule compound
1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylthiourea
Catalog ID
STL169298
SMILES CNC(=S)N(C1CC(=O)N(C1=O)c1ccc(cc1)Cl)Cc1ccc2c(c1)OCO2
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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 C20H18ClN3O4S MW 431.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O4S/c1-22-20(29)23(10-12-2-7-16-17(8-12)28-11-27-16)15-9-18(25)24(19(15)26)14-5-3-13(21)4-6-14/h2-8,15H,9-11H2,1H3,(H,22,29)InChIKey
CYBRUUUSUZRRMD-UHFFFAOYSA-NSynonyms
1105682-57-21(13benzodioxol5ylmethyl)1(1(4chlorophenyl)25dioxopyrrolidin3yl)3methylthiourea
1105682572
CNC(=S)N(CC1=CC2=C(C=C1)OCO2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)Cl
InChI=1SC20H18ClN3O4Sc12220(29)23(1012271617(812)28112716)15918(25)24(19(15)26)145313(21)4614h2815H911H21H3(H2229)
MFCD01628989
ZINC000002746930
ZINC000102435813
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