Vitas-M small molecule compound
N-{[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Catalog ID
STL089106
SMILES CCCC(=O)Nc1nc2c(s1)cc(cc2)NC(=S)NC(=O)c1ccc2c(c1)OCCO2
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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 C21H20N4O4S2 MW 456.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4S2/c1-2-3-18(26)24-21-23-14-6-5-13(11-17(14)31-21)22-20(30)25-19(27)12-4-7-15-16(10-12)29-9-8-28-15/h4-7,10-11H,2-3,8-9H2,1H3,(H,23,24,26)(H2,22,25,27,30)InChIKey
QHPCTHAGJKVSJR-UHFFFAOYSA-NSynonyms
CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4
InChI=1SC21H20N4O4S2c12318(26)242123146513(1117(14)3121)2220(30)2519(27)12471516(1012)29982815h471011H2389H21H3(H232426)(H222252730)
MFCD07613604
N((2(butanoylamino)13benzothiazol6yl)carbamothioyl)23dihydro14benzodioxine6carboxamide
N(6((((23DIHYDRO14BENZODIOXIN6YLCARBONYL)AMINO)CARBOTHIOYL)AMINO)13BENZOTHIAZOL2YL)BUTANAMIDE
ZINC000016637231
ZINC16637231
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