Vitas-M small molecule compound
N-[(2E)-5-benzyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
Catalog ID
STL160193
SMILES COc1ccc(c(c1)F)c1ccc(=O)n(n1)CC(=O)/N=c/1\[nH]nc(s1)Cc1ccccc1
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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 C22H18FN5O3S MW 451.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18FN5O3S/c1-31-15-7-8-16(17(23)12-15)18-9-10-21(30)28(27-18)13-19(29)24-22-26-25-20(32-22)11-14-5-3-2-4-6-14/h2-10,12H,11,13H2,1H3,(H,24,26,29)InChIKey
PLBNTXYLNJHSKI-UHFFFAOYSA-NSynonyms
1246062-04-31246062043
COC1=CC(=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=NN=C(S3)CC4=CC=CC=C4)F
COc1ccc(c(c1)F)c1ccc(=O)n(n1)CC(=O)N=c1(nH)nc(s1)Cc1ccccc1
InChI=1SC22H18FN5O3Sc131157816(17(23)1215)1891021(30)28(2718)1319(29)2422262520(3222)11145324614h21012H1113H21H3(H242629)
MFCD20758929
N((2E)5benzyl134thiadiazol2(3H)ylidene)2(3(2fluoro4methoxyphenyl)6oxopyridazin1(6H)yl)acetamide
N(5benzyl134thiadiazol2yl)2(3(2fluoro4methoxyphenyl)6oxopyridazin1yl)acetamide
ZINC000049551110
ZINC49551110
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