Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-{[(4-fluorophenyl)(methylsulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Catalog ID
STL365662
SMILES O=C(CSc1nnc(n1C)CN(S(=O)(=O)C)c1ccc(cc1)F)NCc1ccc2c(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 C21H22FN5O5S2 MW 507.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN5O5S2/c1-26-19(11-27(34(2,29)30)16-6-4-15(22)5-7-16)24-25-21(26)33-12-20(28)23-10-14-3-8-17-18(9-14)32-13-31-17/h3-9H,10-13H2,1-2H3,(H,23,28)InChIKey
OTCGPSHESOGYOD-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)CN(C4=CC=C(C=C4)F)S(=O)(=O)C
InChI=1SC21H22FN5O5S2c12619(1127(34(229)30)166415(22)5716)242521(26)331220(28)231014381718(914)32133117h39H1013H212H3(H2328)
MFCD27591713
N(13benzodioxol5ylmethyl)2((5(((4fluorophenyl)(methylsulfonyl)amino)methyl)4methyl4H124triazol3yl)sulfanyl)acetamide
N(13benzodioxol5ylmethyl)2((5((4fluoroNmethylsulfonylanilino)methyl)4methyl124triazol3yl)sulfanyl)acetamide
ZINC000020416274
ZINC20416274
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