Vitas-M small molecule compound

4-[({[5-({[(3,4-dichlorophenyl)carbonyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid

Catalog ID
STK218379
SMILES O=C(Nc1ccc(cc1)C(=O)O)CSc1nnc(n1C)CNC(=O)c1ccc(c(c1)Cl)Cl

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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 C20H17Cl2N5O4S MW 494.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Cl2N5O4S/c1-27-16(9-23-18(29)12-4-7-14(21)15(22)8-12)25-26-20(27)32-10-17(28)24-13-5-2-11(3-6-13)19(30)31/h2-8H,9-10H2,1H3,(H,23,29)(H,24,28)(H,30,31)
InChIKey
YBUOPPYXVOGZSI-UHFFFAOYSA-N
Synonyms

4((((5((((34DICHLOROPHENYL)CARBONYL)AMINO)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
4((2((5(((34DICHLOROBENZOYL)AMINO)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)CNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC20H17Cl2N5O4Sc12716(92318(29)124714(21)15(22)812)252620(27)321017(28)24135211(3613)19(30)31h28H910H21H3(H2329)(H2428)(H3031)
MFCD04347789
ZINC000009260582
ZINC9260582

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Available files

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