Vitas-M small molecule compound
2,5-dioxo-1-phenylpyrrolidin-3-yl N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-ethoxyphenyl)carbamimidothioate
Catalog ID
STK760612
SMILES CCOc1ccc(cc1)/N=C(\SC1CC(=O)N(C1=O)c1ccccc1)/NCc1ccc2c(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 C27H25N3O5S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O5S/c1-2-33-21-11-9-19(10-12-21)29-27(28-16-18-8-13-22-23(14-18)35-17-34-22)36-24-15-25(31)30(26(24)32)20-6-4-3-5-7-20/h3-14,24H,2,15-17H2,1H3,(H,28,29)InChIKey
JLJGOMNYIRFYSM-UHFFFAOYSA-NSynonyms
(25DIOXO1PHENYLPYRROLIDIN3YL)N(13BENZODIOXOL5YLMETHYL)N(4ETHOXYPHENYL)CARBAMIMIDOTHIOATE
25DIOXO1PHENYL3PYRROLIDINYLN(13BENZODIOXOL5YLMETHYL)N(4ETHOXYPHENYL)IMIDOTHIOCARBAMATE
25dioxo1phenylpyrrolidin3ylN(13benzodioxol5ylmethyl)N(4ethoxyphenyl)carbamimidothioate
CCOC1=CC=C(C=C1)NC(=NCC2=CC3=C(C=C2)OCO3)SC4CC(=O)N(C4=O)C5=CC=CC=C5
CCOc1ccc(cc1)N=C(SC1CC(=O)N(C1=O)c1ccccc1)NCc1ccc2c(c1)OCO2
InChI=1SC27H25N3O5Sc12332111919(101221)2927(2816188132223(1418)35173422)36241525(31)30(26(24)32)206435720h31424H21517H21H3(H2829)
MFCD01822019
ZINC000018205715
ZINC000100079773
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