Vitas-M small molecule compound
(5Z)-2-(4-methoxyphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK815817
SMILES COc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(o1)c1ccccc1[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 C22H14N4O5S MW 446.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14N4O5S/c1-30-14-8-6-13(7-9-14)20-23-22-25(24-20)21(27)19(32-22)12-15-10-11-18(31-15)16-4-2-3-5-17(16)26(28)29/h2-12H,1H3/b19-12-InChIKey
MVHYOHJPBPORNP-UNOMPAQXSA-NSynonyms
(5Z)2(4methoxyphenyl)5((5(2nitrophenyl)furan2yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4METHOXYPHENYL)5((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
COC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(O4)C5=CC=CC=C5(N+)(=O)(O))SC3=N2
COc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(o1)c1ccccc1(N+)(=O)(O))c2=O
InChI=1SC22H14N4O5Sc130148613(7914)20232225(2420)21(27)19(3222)1215101118(3115)16423517(16)26(28)29h212H1H3b1912
MFCD03532696
ZINC000016732830
ZINC16732830
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