Vitas-M small molecule compound
1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl N-(1,3-benzodioxol-5-ylmethyl)-N'-phenylcarbamimidothioate
Catalog ID
STK757107
SMILES COc1ccccc1N1C(=O)CC(C1=O)S/C(=N/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 C26H23N3O5S MW 489.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O5S/c1-32-20-10-6-5-9-19(20)29-24(30)14-23(25(29)31)35-26(28-18-7-3-2-4-8-18)27-15-17-11-12-21-22(13-17)34-16-33-21/h2-13,23H,14-16H2,1H3,(H,27,28)InChIKey
UJEKLJKCPSJHQM-UHFFFAOYSA-NSynonyms
(1(2METHOXYPHENYL)25DIOXOPYRROLIDIN3YL)N(13BENZODIOXOL5YLMETHYL)NPHENYLCARBAMIMIDOTHIOATE
1(2methoxyphenyl)25dioxopyrrolidin3ylN(13benzodioxol5ylmethyl)Nphenylcarbamimidothioate
COC1=CC=CC=C1N2C(=O)CC(C2=O)SC(=NCC3=CC4=C(C=C3)OCO4)NC5=CC=CC=C5
COc1ccccc1N1C(=O)CC(C1=O)SC(=Nc1ccccc1)NCc1ccc2c(c1)OCO2
InChI=1SC26H23N3O5Sc132201065919(20)2924(30)1423(25(29)31)3526(28187324818)27151711122122(1317)34163321h21323H1416H21H3(H2728)
MFCD01239962
ZINC000008407663
ZINC000096287088
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