Vitas-M small molecule compound
2,5-dioxo-1-phenylpyrrolidin-3-yl N'-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamimidothioate
Catalog ID
STK675023
SMILES CCN/C(=N\Cc1ccc2c(c1)OCO2)/SC1CC(=O)N(C1=O)c1ccccc1
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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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-2-22-21(23-12-14-8-9-16-17(10-14)28-13-27-16)29-18-11-19(25)24(20(18)26)15-6-4-3-5-7-15/h3-10,18H,2,11-13H2,1H3,(H,22,23)InChIKey
BIQQLHIKOGCXDL-UHFFFAOYSA-NSynonyms
(25DIOXO1PHENYLPYRROLIDIN3YL)N(13BENZODIOXOL5YLMETHYL)NETHYLCARBAMIMIDOTHIOATE
(3R)25DIOXO1PHENYLPYRROLIDIN3YLN(13BENZODIOXOL5YLMETHYL)NETHYLCARBAMIMIDOTHIOATE
(3S)25DIOXO1PHENYLPYRROLIDIN3YLN(13BENZODIOXOL5YLMETHYL)NETHYLCARBAMIMIDOTHIOATE
25dioxo1phenylpyrrolidin3ylN(13benzodioxol5ylmethyl)Nethylcarbamimidothioate
CCNC(=NCC1=CC2=C(C=C1)OCO2)SC3CC(=O)N(C3=O)C4=CC=CC=C4
CCNC(=NCc1ccc2c(c1)OCO2)SC1CC(=O)N(C1=O)c1ccccc1
InChI=1SC21H21N3O4Sc122221(231214891617(1014)28132716)29181119(25)24(20(18)26)156435715h31018H21113H21H3(H2223)
MFCD01461893
ZINC000005633807
ZINC000100074319
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