Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-imino-1,3-thiazolidin-4-one
Catalog ID
STK813276
SMILES CCOc1ccc(cc1[N+](=O)[O-])c1nn(cc1/C=C/1\SC(=N)NC1=O)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 C21H17N5O4S MW 435.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O4S/c1-2-30-17-9-8-13(10-16(17)26(28)29)19-14(11-18-20(27)23-21(22)31-18)12-25(24-19)15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H2,22,23,27)/b18-11-InChIKey
NNYRTBOIMIMSFJ-WQRHYEAKSA-NSynonyms
(5Z)2amino5((3(4ethoxy3nitrophenyl)1phenylpyrazol4yl)methylidene)13thiazol4one
(5Z)5((3(4ethoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)2imino13thiazolidin4one
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N)C4=CC=CC=C4)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))c1nn(cc1C=C1SC(=N)NC1=O)c1ccccc1
InChI=1SC21H17N5O4Sc1230179813(1016(17)26(28)29)1914(111820(27)2321(22)3118)1225(2419)156435715h312H2H21H3(H2222327)b1811
MFCD06644837
ZINC000016741220
ZINC16741220
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