Vitas-M small molecule compound
1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl N'-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamimidothioate
Catalog ID
STK675024
SMILES CCN/C(=N\Cc1ccc2c(c1)OCO2)/SC1CC(=O)N(C1=O)c1ccc(cc1)Cl
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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 C21H20ClN3O4S MW 445.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O4S/c1-2-23-21(24-11-13-3-8-16-17(9-13)29-12-28-16)30-18-10-19(26)25(20(18)27)15-6-4-14(22)5-7-15/h3-9,18H,2,10-12H2,1H3,(H,23,24)InChIKey
MBLRGJZEPDZPRE-UHFFFAOYSA-NSynonyms
(1(4CHLOROPHENYL)25DIOXOPYRROLIDIN3YL)N(13BENZODIOXOL5YLMETHYL)NETHYLCARBAMIMIDOTHIOATE
1(4chlorophenyl)25dioxopyrrolidin3ylN(13benzodioxol5ylmethyl)Nethylcarbamimidothioate
CCNC(=NCC1=CC2=C(C=C1)OCO2)SC3CC(=O)N(C3=O)C4=CC=C(C=C4)Cl
CCNC(=NCc1ccc2c(c1)OCO2)SC1CC(=O)N(C1=O)c1ccc(cc1)Cl
InChI=1SC21H20ClN3O4Sc122321(241113381617(913)29122816)30181019(26)25(20(18)27)156414(22)5715h3918H21012H21H3(H2324)
MFCD01461896
ZINC000008425128
ZINC000100074324
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