Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-[(5-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide
Catalog ID
STK221844
SMILES O=C(Cc1nnc(n1C)SC(C(=O)Nc1ccc2c(c1)OCO2)C)Nc1ccccc1F
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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 C21H20FN5O4S MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN5O4S/c1-12(20(29)23-13-7-8-16-17(9-13)31-11-30-16)32-21-26-25-18(27(21)2)10-19(28)24-15-6-4-3-5-14(15)22/h3-9,12H,10-11H2,1-2H3,(H,23,29)(H,24,28)InChIKey
WFOCBSSUTIYCHT-UHFFFAOYSA-NSynonyms
CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3C)CC(=O)NC4=CC=CC=C4F
InChI=1SC21H20FN5O4Sc112(20(29)2313781617(913)31113016)3221262518(27(21)2)1019(28)2415643514(15)22h3912H1011H212H3(H2329)(H2428)
MFCD07401386
N(13BENZODIOXOL5YL)2((5(2((2FLUOROPHENYL)AMINO)2OXOETHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)PROPANAMIDE
N(13BENZODIOXOL5YL)2((5(2(2FLUOROANILINO)2OXOETHYL)4METHYL124TRIAZOL3YL)SULFANYL)PROPANAMIDE
ZINC000009264024
ZINC000009264025
Check stock
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