Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
Catalog ID
STK054028
SMILES O=C(Nc1nnc(s1)C(F)(F)F)/C=C/c1ccc2c(c1)OCO2
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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 C13H8F3N3O3S MW 343.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8F3N3O3S/c14-13(15,16)11-18-19-12(23-11)17-10(20)4-2-7-1-3-8-9(5-7)22-6-21-8/h1-5H,6H2,(H,17,19,20)/b4-2+InChIKey
BKUSCVOJKWFROS-DUXPYHPUSA-NSynonyms
521294-99-5(2E)3(13BENZODIOXOL5YL)N(5(TRIFLUOROMETHYL)134THIADIAZOL2YL)PROP2ENAMIDE
(2E)3(2HBENZO(34D)13DIOXOLEN5YL)N(5(TRIFLUOROMETHYL)(134THIADIAZOL2YL))PROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)N(5(TRIFLUOROMETHYL)134THIADIAZOL2YL)PROP2ENAMIDE
521294995
C1OC2=C(O1)C=C(C=C2)C=CC(=O)NC3=NN=C(S3)C(F)(F)F
InChI=1SC13H8F3N3O3Sc1413(1516)11181912(2311)1710(20)4271389(57)226218h15H6H2(H171920)b42+
MFCD03352029
O=C(Nc1nnc(s1)C(F)(F)F)C=Cc1ccc2c(c1)OCO2
STK054028
ZINC000001152764
ZINC01152764
ZINC1152764
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