Vitas-M small molecule compound
N-benzyl-2-[(4-methyl-5-{[(4-methylphenyl)(methylsulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Catalog ID
STL365884
SMILES O=C(NCc1ccccc1)CSc1nnc(n1C)CN(S(=O)(=O)C)c1ccc(cc1)C
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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 C21H25N5O3S2 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O3S2/c1-16-9-11-18(12-10-16)26(31(3,28)29)14-19-23-24-21(25(19)2)30-15-20(27)22-13-17-7-5-4-6-8-17/h4-12H,13-15H2,1-3H3,(H,22,27)InChIKey
CNEDNTNIDDQAHB-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N(CC2=NN=C(N2C)SCC(=O)NCC3=CC=CC=C3)S(=O)(=O)C
InChI=1SC21H25N5O3S2c11691118(121016)26(31(328)29)1419232421(25(19)2)301520(27)2213177546817h412H1315H213H3(H2227)
MFCD14833784
Nbenzyl2((4methyl5(((4methylphenyl)(methylsulfonyl)amino)methyl)4H124triazol3yl)sulfanyl)acetamide
Nbenzyl2((4methyl5((4methylNmethylsulfonylanilino)methyl)124triazol3yl)sulfanyl)acetamide
ZINC000015019671
ZINC15019671
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