Vitas-M small molecule compound
2-(3-methylphenoxy)-N-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}acetamide
Catalog ID
STK251936
SMILES O=C(NC(=S)Nc1cc(ccc1N1CCCC1)C(F)(F)F)COc1cccc(c1)C
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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 C21H22F3N3O2S MW 437.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3N3O2S/c1-14-5-4-6-16(11-14)29-13-19(28)26-20(30)25-17-12-15(21(22,23)24)7-8-18(17)27-9-2-3-10-27/h4-8,11-12H,2-3,9-10,13H2,1H3,(H2,25,26,28,30)InChIKey
KFQAZCRJMRXJCR-UHFFFAOYSA-NSynonyms
2(3METHYLPHENOXY)N(((2PYRROLIDINYL5(TRIFLUOROMETHYL)PHENYL)AMINO)THIOXOMETHYL)ACETAMIDE
2(3METHYLPHENOXY)N((2(PYRROLIDIN1YL)5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)ACETAMIDE
2(3METHYLPHENOXY)N((2PYRROLIDIN1YL5(TRIFLUOROMETHYL)PHENYL)CARBAMOTHIOYL)ACETAMIDE
CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3
InChI=1SC21H22F3N3O2Sc11454616(1114)291319(28)2620(30)25171215(21(2223)24)7818(17)279231027h481112H2391013H21H3(H225262830)
MFCD03649977
ZINC000001268397
ZINC01268397
ZINC1268397
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