Vitas-M small molecule compound

(2-{(E)-[(3-cyclohexyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)acetic acid

Catalog ID
STL149759
SMILES OC(=O)COc1ccccc1/C=N/n1c(=S)[nH]nc1C1CCCCC1

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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 C17H20N4O3S MW 360.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O3S/c22-15(23)11-24-14-9-5-4-8-13(14)10-18-21-16(19-20-17(21)25)12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,20,25)(H,22,23)/b18-10+
InChIKey
ZPAMCJBQBJYJMO-VCHYOVAHSA-N
Synonyms
478253-65-5
(2((E)((3cyclohexyl5thioxo15dihydro4H124triazol4yl)imino)methyl)phenoxy)aceticacid
2(2(((3CYCLOHEXYL5THIOXO1H124TRIAZOL4(5H)YL)IMINO)METHYL)PHENOXY)ACETICACID
2(2((3CYCLOHEXYL5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)PHENOXY)ACETICACID
2(2((3CYCLOHEXYL5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)PHENOXY)ETHANOICACID
2(2((3CYCLOHEXYL5THIOXO1H124TRIAZOL4YL)IMINOMETHYL)PHENOXY)ACETICACID
2(2((E)(3CYCLOHEXYL5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)PHENOXY)ACETICACID
478253655
C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=CC=C3OCC(=O)O
InChI=1SC17H20N4O3Sc2215(23)112414954813(14)10182116(192017(21)25)126213712h4581012H136711H2(H2025)(H2223)b1810+
MFCD03795810
ZINC000001478510
ZINC1831478

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Available files

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