Vitas-M small molecule compound
ethyl [5-({[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl}amino)-1,3,4-thiadiazol-2-yl]acetate
Catalog ID
STL381977
SMILES CCOC(=O)Cc1nnc(s1)NC(=S)NC(=O)/C=C/c1ccc(c(c1)OC)OC
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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 C18H20N4O5S2 MW 436.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O5S2/c1-4-27-16(24)10-15-21-22-18(29-15)20-17(28)19-14(23)8-6-11-5-7-12(25-2)13(9-11)26-3/h5-9H,4,10H2,1-3H3,(H2,19,20,22,23,28)/b8-6+InChIKey
WPCMSBWBHHSCCD-SOFGYWHQSA-NSynonyms
CCOC(=O)CC1=NN=C(S1)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC
CCOC(=O)Cc1nnc(s1)NC(=S)NC(=O)C=Cc1ccc(c(c1)OC)OC
ethyl(5((((2E)3(34dimethoxyphenyl)prop2enoyl)carbamothioyl)amino)134thiadiazol2yl)acetate
ethyl2(5(((E)3(34dimethoxyphenyl)prop2enoyl)carbamothioylamino)134thiadiazol2yl)acetate
InChI=1SC18H20N4O5S2c142716(24)1015212218(2915)2017(28)1914(23)86115712(252)13(911)263h59H410H213H3(H21920222328)b86+
MFCD05040781
ZINC000016682905
ZINC16682905
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