Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
Catalog ID
STL348077
SMILES COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1C)c1ccc(cc1)C(C)(C)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 C22H25ClN4O2S MW 444.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25ClN4O2S/c1-22(2,3)15-8-6-14(7-9-15)20-25-26-21(27(20)4)30-13-19(28)24-16-10-11-18(29-5)17(23)12-16/h6-12H,13H2,1-5H3,(H,24,28)InChIKey
DJQCAJUSZYXIIQ-UHFFFAOYSA-NSynonyms
861639-63-62((5(4(tertbutyl)phenyl)4methyl4H124triazol3yl)thio)N(3chloro4methoxyphenyl)acetamide
2((5(4TERTBUTYLPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)N(3CHLORO4METHOXYPHENYL)ACETAMIDE
2((5(4tertbutylphenyl)4methyl4H124triazol3yl)sulfanyl)N(3chloro4methoxyphenyl)acetamide
861639636
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC(=C(C=C3)OC)Cl
InChI=1SC22H25ClN4O2Sc122(23)158614(7915)20252621(27(20)4)301319(28)2416101118(295)17(23)1216h612H13H215H3(H2428)
MFCD05533230
ZINC000013804961
ZINC13804961
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