Vitas-M small molecule compound

N-[2-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Catalog ID
STK760111
SMILES COc1ccccc1NC(=O)CSc1sc2c(n1)ccc(c2)NC(=O)CSc1nncn1C

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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 C21H20N6O3S3 MW 500.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O3S3/c1-27-12-22-26-20(27)31-10-18(28)23-13-7-8-15-17(9-13)33-21(25-15)32-11-19(29)24-14-5-3-4-6-16(14)30-2/h3-9,12H,10-11H2,1-2H3,(H,23,28)(H,24,29)
InChIKey
NBBJSSGGKWDHLE-UHFFFAOYSA-N
Synonyms

CN1C=NN=C1SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=CC=C4OC
InChI=1SC21H20N6O3S3c12712222620(27)311018(28)2313781517(913)3321(2515)321119(29)2414534616(14)302h3912H1011H212H3(H2328)(H2429)
MFCD01571884
N(2((2((2methoxyphenyl)amino)2oxoethyl)sulfanyl)13benzothiazol6yl)2((4methyl4H124triazol3yl)sulfanyl)acetamide
N(2(2(2METHOXYANILINO)2OXOETHYL)SULFANYL13BENZOTHIAZOL6YL)2((4METHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000003668840
ZINC03668840
ZINC3668840

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Available files

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