Vitas-M small molecule compound
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-{4-[5-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-1,3-benzoxazol-2-yl]phenyl}acetamide
Catalog ID
STK114045
SMILES O=C(Nc1ccc(cc1)c1oc2c(n1)cc(cc2)NC(=O)CSc1nncn1C)CSc1nncn1C
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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 C23H21N9O3S2 MW 535.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N9O3S2/c1-31-12-24-29-22(31)36-10-19(33)26-15-5-3-14(4-6-15)21-28-17-9-16(7-8-18(17)35-21)27-20(34)11-37-23-30-25-13-32(23)2/h3-9,12-13H,10-11H2,1-2H3,(H,26,33)(H,27,34)InChIKey
TUOKBOXITRURRC-UHFFFAOYSA-NSynonyms
2((4METHYL124TRIAZOL3YL)SULFANYL)N(4(5((2((4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)13BENZOXAZOL2YL)PHENYL)ACETAMIDE
2((4METHYL4H124TRIAZOL3YL)SULFANYL)N(4(5((((4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)13BENZOXAZOL2YL)PHENYL)ACETAMIDE
2(4METHYL(124TRIAZOL3YLTHIO))N(2(4(2(4METHYL(124TRIAZOL3YLTHIO))ACETYLAMINO)PHENYL)BENZOXAZOL5YL)ACETAMIDE
CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)NC(=O)CSC5=NN=CN5C
InChI=1SC23H21N9O3S2c13112242922(31)361019(33)26155314(4615)212817916(7818(17)3521)2720(34)11372330251332(23)2h391213H1011H212H3(H2633)(H2734)
MFCD01443498
ZINC000003667221
ZINC3667221
Check stock
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Check stock on Vitas-MAvailable files
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