Vitas-M small molecule compound
N-[(2E)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
Catalog ID
STL157845
SMILES COc1cc(F)ccc1c1ccc(=O)n(n1)CC(=O)/N=c/1\[nH]nc(s1)C1CCCCC1
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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 C21H22FN5O3S MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN5O3S/c1-30-17-11-14(22)7-8-15(17)16-9-10-19(29)27(26-16)12-18(28)23-21-25-24-20(31-21)13-5-3-2-4-6-13/h7-11,13H,2-6,12H2,1H3,(H,23,25,28)InChIKey
YLVONZUDMDABCG-UHFFFAOYSA-NSynonyms
1246045-96-41246045964
COC1=C(C=CC(=C1)F)C2=NN(C(=O)C=C2)CC(=O)NC3=NN=C(S3)C4CCCCC4
COc1cc(F)ccc1c1ccc(=O)n(n1)CC(=O)N=c1(nH)nc(s1)C1CCCCC1
InChI=1SC21H22FN5O3Sc130171114(22)7815(17)1691019(29)27(2616)1218(28)2321252420(3121)135324613h71113H2612H21H3(H232528)
MFCD20758146
N((2E)5cyclohexyl134thiadiazol2(3H)ylidene)2(3(4fluoro2methoxyphenyl)6oxopyridazin1(6H)yl)acetamide
N(5cyclohexyl134thiadiazol2yl)2(3(4fluoro2methoxyphenyl)6oxopyridazin1yl)acetamide
ZINC000049546713
ZINC49546713
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