Vitas-M small molecule compound
(5Z)-2-(3-methylphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK706051
SMILES Cc1cccc(c1)c1nc2n(n1)c(=O)/c(=C/c1ccc(o1)c1ccccc1[N+](=O)[O-])/s2
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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 C22H14N4O4S MW 430.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14N4O4S/c1-13-5-4-6-14(11-13)20-23-22-25(24-20)21(27)19(31-22)12-15-9-10-18(30-15)16-7-2-3-8-17(16)26(28)29/h2-12H,1H3/b19-12-InChIKey
YKBFLFZZEKGQOC-UNOMPAQXSA-NSynonyms
585556-98-5(5Z)2(3methylphenyl)5((5(2nitrophenyl)furan2yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(3METHYLPHENYL)5((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)5((5(2nitrophenyl)furan2yl)methylene)2(mtolyl)thiazolo(32b)(124)triazol6(5H)one
585556985
CC1=CC=CC(=C1)C2=NN3C(=O)C(=CC4=CC=C(O4)C5=CC=CC=C5(N+)(=O)(O))SC3=N2
Cc1cccc(c1)c1nc2n(n1)c(=O)c(=Cc1ccc(o1)c1ccccc1(N+)(=O)(O))s2
InChI=1SC22H14N4O4Sc11354614(1113)20232225(2420)21(27)19(3122)121591018(3015)16723817(16)26(28)29h212H1H3b1912
MFCD04030199
ZINC000013750591
ZINC13750591
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