Vitas-M small molecule compound

2-(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-N-(2-chlorophenyl)acetamide

Catalog ID
STK221947
SMILES O=C(Nc1nc2c(s1)cccc2)CSc1nnc(n1C)CC(=O)Nc1ccccc1Cl

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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 C20H17ClN6O2S2 MW 472.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN6O2S2/c1-27-16(10-17(28)22-13-7-3-2-6-12(13)21)25-26-20(27)30-11-18(29)24-19-23-14-8-4-5-9-15(14)31-19/h2-9H,10-11H2,1H3,(H,22,28)(H,23,24,29)
InChIKey
XQRGFDRYTAZHOB-UHFFFAOYSA-N
Synonyms

2(5((2(13benzothiazol2ylamino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)N(2chlorophenyl)acetamide
2(5(2(13BENZOTHIAZOL2YLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)N(2CHLOROPHENYL)ACETAMIDE
2(5(BENZOTHIAZOL2YLCARBAMOYLMETHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)N(2CHLOROPHENYL)ACETAMIDE
CN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)CC(=O)NC4=CC=CC=C4Cl
InChI=1SC20H17ClN6O2S2c12716(1017(28)2213732612(13)21)252620(27)301118(29)24192314845915(14)3119h29H1011H21H3(H2228)(H232429)
MFCD07399310
ZINC000009303117
ZINC09303117
ZINC9303117

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Available files

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