Vitas-M small molecule compound

2-chloro-N-(1-{5-[(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}-2-hydroxyethyl)benzamide

Catalog ID
STL122257
SMILES OCC(c1nnc(n1C)SCC(=O)Nc1cc(ccc1Cl)C(F)(F)F)NC(=O)c1ccccc1Cl

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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 C21H18Cl2F3N5O3S MW 548.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2F3N5O3S/c1-31-18(16(9-32)28-19(34)12-4-2-3-5-13(12)22)29-30-20(31)35-10-17(33)27-15-8-11(21(24,25)26)6-7-14(15)23/h2-8,16,32H,9-10H2,1H3,(H,27,33)(H,28,34)
InChIKey
HSHFXQQJZQJWBB-UHFFFAOYSA-N
Synonyms

2chloroN(1(5((2((2chloro5(trifluoromethyl)phenyl)amino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)2hydroxyethyl)benzamide
2CHLORON(1(5(2(2CHLORO5(TRIFLUOROMETHYL)ANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)2HYDROXYETHYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(CO)NC(=O)C3=CC=CC=C3Cl
InChI=1SC21H18Cl2F3N5O3Sc13118(16(932)2819(34)12423513(12)22)293020(31)351017(33)2715811(21(2425)26)6714(15)23h281632H910H21H3(H2733)(H2834)
MFCD06624063
ZINC000003017312
ZINC000003017315

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Available files

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