Vitas-M small molecule compound
(2Z,5Z)-3-cyclohexyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one
Catalog ID
STK380221
SMILES COc1ccc2c(c1)n(C)/c(=C\1/S/C(=N\c3ncn[nH]3)/N(C1=O)C1CCCCC1)/s2
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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 C20H22N6O2S2 MW 442.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O2S2/c1-25-14-10-13(28-2)8-9-15(14)29-18(25)16-17(27)26(12-6-4-3-5-7-12)20(30-16)23-19-21-11-22-24-19/h8-12H,3-7H2,1-2H3,(H,21,22,24)/b18-16-,23-20-InChIKey
WSSZYBLSBZXWJO-HBUGJHHGSA-NSynonyms
(2Z5Z)3cyclohexyl5(5methoxy3methyl13benzothiazol2(3H)ylidene)2(1H124triazol5ylimino)13thiazolidin4one
(2Z5Z)3cyclohexyl5(5methoxy3methyl13benzothiazol2ylidene)2(1H124triazol5ylimino)13thiazolidin4one
3CYCLOHEXYL5(5METHOXY3METHYL(3HYDROBENZOTHIAZOL2YLIDENE))2(1H124TRIAZOL5YLAZAMETHYLENE)13THIAZOLIDIN4ONE
CN1C2=C(C=CC(=C2)OC)SC1=C3C(=O)N(C(=NC4=NC=NN4)S3)C5CCCCC5
COc1ccc2c(c1)n(C)c(=C1SC(=Nc3ncn(nH)3)N(C1=O)C1CCCCC1)s2
InChI=1SC20H22N6O2S2c125141013(282)8915(14)2918(25)1617(27)26(126435712)20(3016)23192111222419h812H37H212H3(H212224)b18162320
MFCD02068250
ZINC000100367795
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