Vitas-M small molecule compound
2-[(4-ethyl-5-{3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Catalog ID
STK435066
SMILES CCn1c(SCC(=O)Nc2cccc(c2)[N+](=O)[O-])nnc1c1cccc(c1)COCC(C(F)F)(F)F
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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 C22H21F4N5O4S MW 527.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21F4N5O4S/c1-2-30-19(15-6-3-5-14(9-15)11-35-13-22(25,26)20(23)24)28-29-21(30)36-12-18(32)27-16-7-4-8-17(10-16)31(33)34/h3-10,20H,2,11-13H2,1H3,(H,27,32)InChIKey
PALFMBMBGUPKSE-UHFFFAOYSA-NSynonyms
2((4ethyl5(3((2233tetrafluoropropoxy)methyl)phenyl)4H124triazol3yl)sulfanyl)N(3nitrophenyl)acetamide
2((4ethyl5(3(2233tetrafluoropropoxymethyl)phenyl)124triazol3yl)sulfanyl)N(3nitrophenyl)acetamide
CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)(N+)(=O)(O))C3=CC(=CC=C3)COCC(C(F)F)(F)F
CCn1c(SCC(=O)Nc2cccc(c2)(N+)(=O)(O))nnc1c1cccc(c1)COCC(C(F)F)(F)F
InChI=1SC22H21F4N5O4Sc123019(1563514(915)11351322(2526)20(23)24)282921(30)361218(32)271674817(1016)31(33)34h31020H21113H21H3(H2732)
MFCD03943044
ZINC000097945455
ZINC97945455
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