Vitas-M small molecule compound
2-fluoro-N-{2-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK211564
SMILES COc1cccc(c1)NC(=O)CSc1nnc(n1C)CCNC(=O)c1ccccc1F
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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 C21H22FN5O3S MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN5O3S/c1-27-18(10-11-23-20(29)16-8-3-4-9-17(16)22)25-26-21(27)31-13-19(28)24-14-6-5-7-15(12-14)30-2/h3-9,12H,10-11,13H2,1-2H3,(H,23,29)(H,24,28)InChIKey
OPSDGWBKYXEVAI-UHFFFAOYSA-NSynonyms
2FLUORON(2(5((2((3METHOXYPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)BENZAMIDE
2FLUORON(2(5((3METHOXYPHENYLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)ETHYL)BENZAMIDE
2FLUORON(2(5(2(3METHOXYANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)CCNC(=O)C3=CC=CC=C3F
InChI=1SC21H22FN5O3Sc12718(10112320(29)16834917(16)22)252621(27)311319(28)241465715(1214)302h3912H101113H212H3(H2329)(H2428)
MFCD08670114
ZINC000009262077
ZINC09262077
ZINC9262077
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