Vitas-M small molecule compound
ethyl 1-[6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)pyridazin-3-yl]-5-methyl-1H-pyrazole-4-carboxylate
Catalog ID
STL124667
SMILES CCOC(=O)c1cnn(c1C)c1ccc(nn1)SCC(=O)Nc1ccc(cc1)F
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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 C19H18FN5O3S MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18FN5O3S/c1-3-28-19(27)15-10-21-25(12(15)2)16-8-9-18(24-23-16)29-11-17(26)22-14-6-4-13(20)5-7-14/h4-10H,3,11H2,1-2H3,(H,22,26)InChIKey
ICPJATQIZXHVHD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)F)C
ethyl1(6((2((4fluorophenyl)amino)2oxoethyl)sulfanyl)pyridazin3yl)5methyl1Hpyrazole4carboxylate
ethyl1(6(2(4fluoroanilino)2oxoethyl)sulfanylpyridazin3yl)5methylpyrazole4carboxylate
InChI=1SC19H18FN5O3Sc132819(27)15102125(12(15)2)168918(242316)291117(26)22146413(20)5714h410H311H212H3(H2226)
MFCD20735593
ZINC000067240341
ZINC67240341
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