Vitas-M small molecule compound
(5E)-2-(4-acetylpiperazin-1-yl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazol-4(5H)-one
Catalog ID
STL048490
SMILES CC(=O)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(o2)c2ccccc2[N+](=O)[O-])/S1
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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 C20H18N4O5S MW 426.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O5S/c1-13(25)22-8-10-23(11-9-22)20-21-19(26)18(30-20)12-14-6-7-17(29-14)15-4-2-3-5-16(15)24(27)28/h2-7,12H,8-11H2,1H3/b18-12+InChIKey
JFLPNYFEXGZASL-LDADJPATSA-NSynonyms
714936-87-5(5E)2(4acetylpiperazin1yl)5((5(2nitrophenyl)furan2yl)methylidene)13thiazol4(5H)one
(5E)2(4ACETYLPIPERAZIN1YL)5((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)13THIAZOL4ONE
(E)2(4acetylpiperazin1yl)5((5(2nitrophenyl)furan2yl)methylene)thiazol4(5H)one
714936875
CC(=O)N1CCN(CC1)C1=NC(=O)C(=Cc2ccc(o2)c2ccccc2(N+)(=O)(O))S1
CC(=O)N1CCN(CC1)C2=NC(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4(N+)(=O)(O))S2
InChI=1SC20H18N4O5Sc113(25)2281023(11922)202119(26)18(3020)12146717(2914)15423516(15)24(27)28h2712H811H21H3b1812+
MFCD04177671
ZINC000009157998
ZINC09157998
ZINC9157998
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