Vitas-M small molecule compound
(2E)-3-[(5-chloro-2-methoxyphenyl)amino]-2-cyano-3-(methylsulfanyl)prop-2-enamide
Catalog ID
STL134865
SMILES CS/C(=C(/C(=O)N)\C#N)/Nc1cc(Cl)ccc1OC
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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 C12H12ClN3O2S MW 297.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12ClN3O2S/c1-18-10-4-3-7(13)5-9(10)16-12(19-2)8(6-14)11(15)17/h3-5,16H,1-2H3,(H2,15,17)/b12-8+InChIKey
IVVHBWAXVAOHKZ-XYOKQWHBSA-NSynonyms
1325549-74-3(2E)3((5chloro2methoxyphenyl)amino)2cyano3(methylsulfanyl)prop2enamide
(E)3(5chloro2methoxyanilino)2cyano3methylsulfanylprop2enamide
1325549743
COC1=C(C=C(C=C1)Cl)NC(=C(C#N)C(=O)N)SC
CSC(=C(C(=O)N)C#N)Nc1cc(Cl)ccc1OC
InChI=1SC12H12ClN3O2Sc11810437(13)59(10)1612(192)8(614)11(15)17h3516H12H3(H21517)b128+
MFCD19705774
ZINC000067172696
ZINC67172696
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