Vitas-M small molecule compound
1-{4-[chloro(difluoro)methoxy]phenyl}-2,5-dioxopyrrolidin-3-yl N-(1,3-benzodioxol-5-ylmethyl)-N'-phenylcarbamimidothioate
Catalog ID
STK676523
SMILES O=C1CC(C(=O)N1c1ccc(cc1)OC(Cl)(F)F)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 C26H20ClF2N3O5S MW 559.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClF2N3O5S/c27-26(28,29)37-19-9-7-18(8-10-19)32-23(33)13-22(24(32)34)38-25(31-17-4-2-1-3-5-17)30-14-16-6-11-20-21(12-16)36-15-35-20/h1-12,22H,13-15H2,(H,30,31)InChIKey
WHQZDHACDZYYDL-UHFFFAOYSA-NSynonyms
(1(4(CHLORO(DIFLUORO)METHOXY)PHENYL)25DIOXOPYRROLIDIN3YL)N(13BENZODIOXOL5YLMETHYL)NPHENYLCARBAMIMIDOTHIOATE
1(4(chloro(difluoro)methoxy)phenyl)25dioxopyrrolidin3ylN(13benzodioxol5ylmethyl)Nphenylcarbamimidothioate
C1C(C(=O)N(C1=O)C2=CC=C(C=C2)OC(F)(F)Cl)SC(=NCC3=CC4=C(C=C3)OCO4)NC5=CC=CC=C5
InChI=1SC26H20ClF2N3O5Sc2726(2829)37199718(81019)3223(33)1322(24(32)34)3825(31174213517)3014166112021(1216)36153520h11222H1315H2(H3031)
MFCD02110575
O=C1CC(C(=O)N1c1ccc(cc1)OC(Cl)(F)F)SC(=Nc1ccccc1)NCc1ccc2c(c1)OCO2
ZINC000100091722
ZINC000100091726
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