Vitas-M small molecule compound
2-[(2Z)-1,3-benzoxazol-2(3H)-ylideneamino]-4,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
Catalog ID
STK591829
SMILES O=C(c1c(C)nc(nc1C)/N=c/1\oc2c([nH]1)cccc2)Nc1cccc(c1)C(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 C21H16F3N5O2 MW 427.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F3N5O2/c1-11-17(18(30)27-14-7-5-6-13(10-14)21(22,23)24)12(2)26-19(25-11)29-20-28-15-8-3-4-9-16(15)31-20/h3-10H,1-2H3,(H,27,30)(H,25,26,28,29)InChIKey
SAIKTWNCMJMDLW-UHFFFAOYSA-NSynonyms
810627-44-22((2Z)13benzoxazol2(3H)ylideneamino)46dimethylN(3(trifluoromethyl)phenyl)pyrimidine5carboxamide
2(13BENZOXAZOL2YLAMINO)46DIMETHYLN(3(TRIFLUOROMETHYL)PHENYL)PYRIMIDINE5CARBOXAMIDE
810627442
CC1=C(C(=NC(=N1)NC2=NC3=CC=CC=C3O2)C)C(=O)NC4=CC=CC(=C4)C(F)(F)F
InChI=1SC21H16F3N5O2c11117(18(30)271475613(1014)21(2223)24)12(2)2619(2511)29202815834916(15)3120h310H12H3(H2730)(H25262829)
MFCD07203083
O=C(c1c(C)nc(nc1C)N=c1oc2c((nH)1)cccc2)Nc1cccc(c1)C(F)(F)F
ZINC000009479962
ZINC09479962
ZINC9479962
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