Vitas-M small molecule compound
N-(2,5-dimethylphenyl)-2-[(5-{[(4-fluorophenyl)(methylsulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Catalog ID
STL405982
SMILES O=C(Nc1cc(C)ccc1C)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 C21H24FN5O3S2 MW 477.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24FN5O3S2/c1-14-5-6-15(2)18(11-14)23-20(28)13-31-21-25-24-19(26(21)3)12-27(32(4,29)30)17-9-7-16(22)8-10-17/h5-11H,12-13H2,1-4H3,(H,23,28)InChIKey
SIVVCAJLGZGILW-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2C)CN(C3=CC=C(C=C3)F)S(=O)(=O)C
InChI=1SC21H24FN5O3S2c1145615(2)18(1114)2320(28)133121252419(26(21)3)1227(32(429)30)179716(22)81017h511H1213H214H3(H2328)
MFCD27591681
N(25dimethylphenyl)2((5(((4fluorophenyl)(methylsulfonyl)amino)methyl)4methyl4H124triazol3yl)sulfanyl)acetamide
N(25dimethylphenyl)2((5((4fluoroNmethylsulfonylanilino)methyl)4methyl124triazol3yl)sulfanyl)acetamide
ZINC000020193894
ZINC20193894
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