Vitas-M small molecule compound
(5Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-5-(4-nitrobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK799529
SMILES Clc1ccc(cc1)/C=C/c1nn2c(n1)s/c(=C\c1ccc(cc1)[N+](=O)[O-])/c2=O
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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 C19H11ClN4O3S MW 410.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H11ClN4O3S/c20-14-6-1-12(2-7-14)5-10-17-21-19-23(22-17)18(25)16(28-19)11-13-3-8-15(9-4-13)24(26)27/h1-11H/b10-5+,16-11-InChIKey
GJGPKGRDTADJSI-BOHWWTNISA-NSynonyms
(5Z)2((E)2(4CHLOROPHENYL)ETHENYL)5((4NITROPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2((E)2(4chlorophenyl)ethenyl)5(4nitrobenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
C1=CC(=CC=C1C=CC2=NN3C(=O)C(=CC4=CC=C(C=C4)(N+)(=O)(O))SC3=N2)Cl
Clc1ccc(cc1)C=Cc1nn2c(n1)sc(=Cc1ccc(cc1)(N+)(=O)(O))c2=O
InChI=1SC19H11ClN4O3Sc20146112(2714)51017211923(2217)18(25)16(2819)11133815(9413)24(26)27h111Hb105+1611
MFCD04446937
ZINC000016734978
ZINC16734978
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