Vitas-M small molecule compound
2-(3,5-dimethylphenoxy)-N-({4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)acetamide
Catalog ID
STK254860
SMILES O=C(NC(=S)Nc1ccc(cc1)N1CCN(CC1)c1c(F)c(F)c(c(c1F)F)F)COc1cc(C)cc(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 C27H25F5N4O2S MW 564.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25F5N4O2S/c1-15-11-16(2)13-19(12-15)38-14-20(37)34-27(39)33-17-3-5-18(6-4-17)35-7-9-36(10-8-35)26-24(31)22(29)21(28)23(30)25(26)32/h3-6,11-13H,7-10,14H2,1-2H3,(H2,33,34,37,39)InChIKey
AGXHAVMPAKGLIY-UHFFFAOYSA-NSynonyms
2(35dimethylphenoxy)N((4(4(23456pentafluorophenyl)piperazin1yl)phenyl)carbamothioyl)acetamide
2(35dimethylphenoxy)N((4(4(pentafluorophenyl)piperazin1yl)phenyl)carbamothioyl)acetamide
CC1=CC(=CC(=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C4=C(C(=C(C(=C4F)F)F)F)F)C
InChI=1SC27H25F5N4O2Sc1151116(2)1319(1215)381420(37)3427(39)33173518(6417)357936(10835)2624(31)22(29)21(28)23(30)25(26)32h361113H71014H212H3(H233343739)
MFCD03922676
ZINC000100366840
ZINC100366840
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