Vitas-M small molecule compound

N-[4-(acetylamino)phenyl]-2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

Catalog ID
STK599273
SMILES COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1)NC(=O)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 C22H22N8O3S MW 478.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N8O3S/c1-13(31)24-15-5-7-16(8-6-15)25-20(32)12-34-22-29-28-21(30(22)23)19-11-18(26-27-19)14-3-9-17(33-2)10-4-14/h3-11H,12,23H2,1-2H3,(H,24,31)(H,25,32)(H,26,27)
InChIKey
JSRNPRYRSXHXHA-UHFFFAOYSA-N
Synonyms
879473-96-8
879473968
CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=C(C=C4)OC
COc1ccc(cc1)c1(nH)nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1)NC(=O)C
COc1ccc(cc1)c1n(nH)c(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1)NC(=O)C
InChI=1SC22H22N8O3Sc113(31)24155716(8615)2520(32)123422292821(30(22)23)191118(262719)143917(332)10414h311H1223H212H3(H2431)(H2532)(H2627)
MFCD07212186
N(4(acetylamino)phenyl)2((4amino5(5(4methoxyphenyl)1Hpyrazol3yl)4H124triazol3yl)sulfanyl)acetamide
N(4(ACETYLAMINO)PHENYL)2(4AMINO5(3(4METHOXYPHENYL)PYRAZOL5YL)(124TRIAZOL3YLTHIO))ACETAMIDE
N(4ACETAMIDOPHENYL)2((4AMINO5(3(4METHOXYPHENYL)1HPYRAZOL5YL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4acetamidophenyl)2((4amino5(3(4methoxyphenyl)1Hpyrazol5yl)4H124triazol3yl)thio)acetamide
ZINC000009453499
ZINC09453499
ZINC9453499

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Available files

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