Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-[(5-{[(4-fluorophenyl)(methylsulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Catalog ID
STL365021
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1C)CN(S(=O)(=O)C)c1ccc(cc1)F
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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 C20H20FN5O5S2 MW 493.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FN5O5S2/c1-25-18(10-26(33(2,28)29)15-6-3-13(21)4-7-15)23-24-20(25)32-11-19(27)22-14-5-8-16-17(9-14)31-12-30-16/h3-9H,10-12H2,1-2H3,(H,22,27)InChIKey
JFQPNXQHNCCSHS-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)CN(C4=CC=C(C=C4)F)S(=O)(=O)C
InChI=1SC20H20FN5O5S2c12518(1026(33(228)29)156313(21)4715)232420(25)321119(27)2214581617(914)31123016h39H1012H212H3(H2227)
MFCD09156541
N(13benzodioxol5yl)2((5(((4fluorophenyl)(methylsulfonyl)amino)methyl)4methyl4H124triazol3yl)sulfanyl)acetamide
N(13benzodioxol5yl)2((5((4fluoroNmethylsulfonylanilino)methyl)4methyl124triazol3yl)sulfanyl)acetamide
ZINC000009189625
ZINC09189625
ZINC9189625
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