Vitas-M small molecule compound
1-(2-methoxy-4-nitrophenyl)-3-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]thiourea
Catalog ID
STK455700
SMILES COc1cc(ccc1NC(=S)Nc1cc(OCC(F)(F)F)cc(c1)OCC(C(F)F)(F)F)[N+](=O)[O-]
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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 C19H16F7N3O5S MW 531.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16F7N3O5S/c1-32-15-6-11(29(30)31)2-3-14(15)28-17(35)27-10-4-12(33-8-18(22,23)16(20)21)7-13(5-10)34-9-19(24,25)26/h2-7,16H,8-9H2,1H3,(H2,27,28,35)InChIKey
XWKIEVKCDVUGSL-UHFFFAOYSA-NSynonyms
1(2methoxy4nitrophenyl)3(3(2233tetrafluoropropoxy)5(222trifluoroethoxy)phenyl)thiourea
COC1=C(C=CC(=C1)(N+)(=O)(O))NC(=S)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(C(F)F)(F)F
COc1cc(ccc1NC(=S)Nc1cc(OCC(F)(F)F)cc(c1)OCC(C(F)F)(F)F)(N+)(=O)(O)
InChI=1SC19H16F7N3O5Sc13215611(29(30)31)2314(15)2817(35)2710412(33818(2223)16(20)21)713(510)34919(2425)26h2716H89H21H3(H2272835)
MFCD04129122
ZINC000059771824
ZINC59771824
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