Vitas-M small molecule compound
2-{(E)-[(3-cyclohexyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid
Catalog ID
STL148233
SMILES OC(=O)c1ccccc1/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 C16H18N4O2S MW 330.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O2S/c21-15(22)13-9-5-4-8-12(13)10-17-20-14(18-19-16(20)23)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,19,23)(H,21,22)/b17-10+InChIKey
PQHDDOVQMIUNBG-LICLKQGHSA-NSynonyms
613247-21-52((1E)2(5CYCLOHEXYL3SULFANYL(124TRIAZOL4YL))2AZAVINYL)BENZOICACID
2((E)((3cyclohexyl5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoicacid
2((E)(3CYCLOHEXYL5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOICACID
613247215
C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=CC=C3C(=O)O
InChI=1SC16H18N4O2Sc2115(22)13954812(13)10172014(181916(20)23)116213711h45811H1367H2(H1923)(H2122)b1710+
MFCD03795401
OC(=O)c1ccccc1C=Nn1c(=S)(nH)nc1C1CCCCC1
ZINC000001239783
ZINC1239782
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