Vitas-M small molecule compound
2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-chloro-6-hydroxy-2-methyl-5-(propan-2-yl)phenyl]acetamide
Catalog ID
STK772234
SMILES O=C(Nc1c(C)c(Cl)cc(c1O)C(C)C)CSc1nnc(n1Cc1ccccc1)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/c1-13(2)17-10-18(23)14(3)20(21(17)29)24-19(28)12-30-22-26-25-15(4)27(22)11-16-8-6-5-7-9-16/h5-10,13,29H,11-12H2,1-4H3,(H,24,28)InChIKey
QLJLNAUVUQHZOS-UHFFFAOYSA-NSynonyms
2((4BENZYL5METHYL124TRIAZOL3YL)SULFANYL)N(5CHLORO2HYDROXY6METHYL3PROPAN2YLPHENYL)ACETAMIDE
2((4benzyl5methyl4H124triazol3yl)sulfanyl)N(3chloro6hydroxy2methyl5(propan2yl)phenyl)acetamide
CC1=C(C=C(C(=C1NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C)O)C(C)C)Cl
InChI=1SC22H25ClN4O2Sc113(2)171018(23)14(3)20(21(17)29)2419(28)123022262515(4)27(22)11168657916h5101329H1112H214H3(H2428)
MFCD03768473
ZINC000001076370
ZINC01076370
ZINC1076370
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