Vitas-M small molecule compound
N-{[5-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
Catalog ID
STK222142
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1C(C)C)CNC(=O)c1ccccc1F
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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 C22H22FN5O4S MW 471.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN5O4S/c1-13(2)28-19(10-24-21(30)15-5-3-4-6-16(15)23)26-27-22(28)33-11-20(29)25-14-7-8-17-18(9-14)32-12-31-17/h3-9,13H,10-12H2,1-2H3,(H,24,30)(H,25,29)InChIKey
FAZOYZQSCPKBSA-UHFFFAOYSA-NSynonyms
CC(C)N1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)CNC(=O)C4=CC=CC=C4F
InChI=1SC22H22FN5O4Sc113(2)2819(102421(30)15534616(15)23)262722(28)331120(29)2514781718(914)32123117h3913H1012H212H3(H2430)(H2529)
MFCD07403191
N((5((2(13benzodioxol5ylamino)2oxoethyl)sulfanyl)4(propan2yl)4H124triazol3yl)methyl)2fluorobenzamide
N((5(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL4PROPAN2YL124TRIAZOL3YL)METHYL)2FLUOROBENZAMIDE
N(5(BENZO(13)DIOXOL5YLCARBAMOYLMETHYLSULFANYL)4ISOPROPYL4H(124)TRIAZOL3YLMETHYL)2FLUOROBENZAMIDE
ZINC000009303832
ZINC09303832
ZINC9303832
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