Vitas-M small molecule compound

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

Catalog ID
STK139648
SMILES COc1cccc(c1)NC(=O)Cc1nnc(n1C)SCC(=O)Nc1cccc(c1)SC

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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 C21H23N5O3S2 MW 457.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O3S2/c1-26-18(12-19(27)22-14-6-4-8-16(10-14)29-2)24-25-21(26)31-13-20(28)23-15-7-5-9-17(11-15)30-3/h4-11H,12-13H2,1-3H3,(H,22,27)(H,23,28)
InChIKey
ROYRTWLTTUCCOV-UHFFFAOYSA-N
Synonyms

2((5(2((3METHOXYPHENYL)AMINO)2OXOETHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)N(3(METHYLSULFANYL)PHENYL)ACETAMIDE
2((5(2(3METHOXYANILINO)2OXOETHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)N(3(METHYLSULFANYL)PHENYL)ACETAMIDE
CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)SC)CC(=O)NC3=CC(=CC=C3)OC
InChI=1SC21H23N5O3S2c12618(1219(27)221464816(1014)292)242521(26)311320(28)231575917(1115)303h411H1213H213H3(H2227)(H2328)
MFCD05742037
N(3METHOXYPHENYL)2(4METHYL5((3METHYLSULFANYLPHENYLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YL)ACETAMIDE
N(3METHOXYPHENYL)2(4METHYL5(2(3METHYLSULFANYLANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ACETAMIDE
ZINC000000633980
ZINC00633980
ZINC633980

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Available files

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