Vitas-M small molecule compound
N'-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylidene]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbohydrazide
Catalog ID
STK301441
SMILES O=C(c1nn2c(c1)nc(cc2C(F)(F)F)c1cccs1)N/N=C/c1ccc2c(c1)OCCO2
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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 C21H14F3N5O3S MW 473.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14F3N5O3S/c22-21(23,24)18-9-13(17-2-1-7-33-17)26-19-10-14(28-29(18)19)20(30)27-25-11-12-3-4-15-16(8-12)32-6-5-31-15/h1-4,7-11H,5-6H2,(H,27,30)/b25-11+InChIKey
PXQDYSQRWVVRIY-OPEKNORGSA-NSynonyms
492438-38-7492438387
C1COC2=C(O1)C=CC(=C2)C=NNC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CS5)C(F)(F)F
InChI=1SC21H14F3N5O3Sc2221(2324)18913(172173317)26191014(2829(18)19)20(30)27251112341516(812)32653115h14711H56H2(H2730)b2511+
MFCD03073991
N((E)23dihydro14benzodioxin6ylmethylidene)5(thiophen2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbohydrazide
N((E)23dihydro14benzodioxin6ylmethylideneamino)5thiophen2yl7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamide
O=C(c1nn2c(c1)nc(cc2C(F)(F)F)c1cccs1)NN=Cc1ccc2c(c1)OCCO2
ZINC000002789078
ZINC96602964
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