Vitas-M small molecule compound
(5Z)-2-[4-(pentyloxy)phenyl]-5-(3,4,5-trimethoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817513
SMILES CCCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cc(OC)c(c(c1)OC)OC)/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 C25H27N3O5S MW 481.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O5S/c1-5-6-7-12-33-18-10-8-17(9-11-18)23-26-25-28(27-23)24(29)21(34-25)15-16-13-19(30-2)22(32-4)20(14-16)31-3/h8-11,13-15H,5-7,12H2,1-4H3/b21-15-InChIKey
QMQOBCCQVVCRLA-QNGOZBTKSA-NSynonyms
(5Z)2(4(pentyloxy)phenyl)5(345trimethoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4PENTOXYPHENYL)5((345TRIMETHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=C(C(=C4)OC)OC)OC)SC3=N2
CCCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cc(OC)c(c(c1)OC)OC)c2=O
InChI=1SC25H27N3O5Sc156712331810817(91118)23262528(2723)24(29)21(3425)15161319(302)22(324)20(1416)313h8111315H5712H214H3b2115
MFCD04447396
ZINC000003650916
ZINC03650916
ZINC3650916
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