Vitas-M small molecule compound
(5Z)-3-cyclopropyl-2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-5-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-3,5-dihydro-4H-imidazol-4-one
Catalog ID
STL396188
SMILES Cn1nc(c(c1)/C=C/1\N=C(N(C1=O)C1CC1)SCC(=O)c1ccc2c(c1)OCCO2)C
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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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-13-15(11-25(2)24-13)9-17-21(28)26(16-4-5-16)22(23-17)31-12-18(27)14-3-6-19-20(10-14)30-8-7-29-19/h3,6,9-11,16H,4-5,7-8,12H2,1-2H3/b17-9-InChIKey
NOQMQYNYEOWQPM-MFOYZWKCSA-NSynonyms
1005646-83-2(5Z)3CYCLOPROPYL2((2(23DIHYDRO14BENZODIOXIN6YL)2OXOETHYL)SULFANYL)5((13DIMETHYL1HPYRAZOL4YL)METHYLIDENE)35DIHYDRO4HIMIDAZOL4ONE
(5Z)3CYCLOPROPYL2(2(23DIHYDRO14BENZODIOXIN6YL)2OXOETHYL)SULFANYL5((13DIMETHYLPYRAZOL4YL)METHYLIDENE)IMIDAZOL4ONE
1005646832
CC1=NN(C=C1C=C2C(=O)N(C(=N2)SCC(=O)C3=CC4=C(C=C3)OCCO4)C5CC5)C
Cn1nc(c(c1)C=C1N=C(N(C1=O)C1CC1)SCC(=O)c1ccc2c(c1)OCCO2)C
InChI=1SC22H22N4O4Sc11315(1125(2)2413)91721(28)26(164516)22(2317)311218(27)14361920(1014)30872919h3691116H457812H212H3b179
MFCD04052071
ZINC000002800674
ZINC02800674
ZINC2800674
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