Vitas-M small molecule compound
1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl N-benzyl-N'-[4-(trifluoromethoxy)phenyl]carbamimidothioate
Catalog ID
STK676417
SMILES COc1ccccc1N1C(=O)CC(C1=O)S/C(=N/c1ccc(cc1)OC(F)(F)F)/NCc1ccccc1
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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 C26H22F3N3O4S MW 529.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22F3N3O4S/c1-35-21-10-6-5-9-20(21)32-23(33)15-22(24(32)34)37-25(30-16-17-7-3-2-4-8-17)31-18-11-13-19(14-12-18)36-26(27,28)29/h2-14,22H,15-16H2,1H3,(H,30,31)InChIKey
IYWNCVROLBTBMM-UHFFFAOYSA-NSynonyms
(1(2METHOXYPHENYL)25DIOXOPYRROLIDIN3YL)NBENZYLN(4(TRIFLUOROMETHOXY)PHENYL)CARBAMIMIDOTHIOATE
1(2methoxyphenyl)25dioxopyrrolidin3ylNbenzylN(4(trifluoromethoxy)phenyl)carbamimidothioate
COC1=CC=CC=C1N2C(=O)CC(C2=O)SC(=NCC3=CC=CC=C3)NC4=CC=C(C=C4)OC(F)(F)F
COc1ccccc1N1C(=O)CC(C1=O)SC(=Nc1ccc(cc1)OC(F)(F)F)NCc1ccccc1
InChI=1SC26H22F3N3O4Sc135211065920(21)3223(33)1522(24(32)34)3725(3016177324817)3118111319(141218)3626(2728)29h21422H1516H21H3(H3031)
MFCD01872327
ZINC000100090220
ZINC000100090223
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