Vitas-M small molecule compound
(4E)-4-{[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene}-5-methyl-2-(naphthalen-1-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295599
SMILES CCOc1ccc2c(c1)sc(n2)N/C=C/1\C(=NN(C1=O)c1cccc2c1cccc2)C
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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 C24H20N4O2S MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O2S/c1-3-30-17-11-12-20-22(13-17)31-24(26-20)25-14-19-15(2)27-28(23(19)29)21-10-6-8-16-7-4-5-9-18(16)21/h4-14H,3H2,1-2H3,(H,25,26)/b19-14+InChIKey
NAZFCJITAOKFML-XMHGGMMESA-NSynonyms
(4E)4(((6ethoxy13benzothiazol2yl)amino)methylidene)5methyl2(naphthalen1yl)24dihydro3Hpyrazol3one
(4E)4(((6ethoxy13benzothiazol2yl)amino)methylidene)5methyl2naphthalen1ylpyrazol3one
CCOC1=CC2=C(C=C1)N=C(S2)NC=C3C(=NN(C3=O)C4=CC=CC5=CC=CC=C54)C
CCOc1ccc2c(c1)sc(n2)NC=C1C(=NN(C1=O)c1cccc2c1cccc2)C
InChI=1SC24H20N4O2Sc13301711122022(1317)3124(2620)25141915(2)2728(23(19)29)21106816745918(16)21h414H3H212H3(H2526)b1914+
MFCD28033044
ZINC000101114337
ZINC101114337
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