Vitas-M small molecule compound
N-[(2Z)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]-2-{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetamide
Catalog ID
STL161343
SMILES COc1ccc2c(c1)s/c(=N\C(=O)Cn1nc(ccc1=O)c1ccc(cc1)SC)/[nH]2
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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 C21H18N4O3S2 MW 438.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S2/c1-28-14-5-8-17-18(11-14)30-21(22-17)23-19(26)12-25-20(27)10-9-16(24-25)13-3-6-15(29-2)7-4-13/h3-11H,12H2,1-2H3,(H,22,23,26)InChIKey
WSZRFJCNTWXAHF-UHFFFAOYSA-NSynonyms
1310945-58-41310945584
COC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C=CC(=N3)C4=CC=C(C=C4)SC
COc1ccc2c(c1)sc(=NC(=O)Cn1nc(ccc1=O)c1ccc(cc1)SC)(nH)2
InChI=1SC21H18N4O3S2c12814581718(1114)3021(2217)2319(26)122520(27)10916(2425)133615(292)7413h311H12H212H3(H222326)
MFCD20759348
N((2Z)6methoxy13benzothiazol2(3H)ylidene)2(3(4(methylsulfanyl)phenyl)6oxopyridazin1(6H)yl)acetamide
N(6methoxy13benzothiazol2yl)2(3(4methylsulfanylphenyl)6oxopyridazin1yl)acetamide
ZINC000071279993
ZINC71279993
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