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{2-[(E)-(2-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenoxy}acetic acid

Catalog ID
STK722873
SMILES O=C(CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3)N/N=C/c1ccccc1OCC(=O)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 C27H24N4O5S2 MW 548.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O5S2/c32-22(30-28-14-17-8-4-6-12-20(17)36-15-23(33)34)16-37-27-29-25-24(19-11-5-7-13-21(19)38-25)26(35)31(27)18-9-2-1-3-10-18/h1-4,6,8-10,12,14H,5,7,11,13,15-16H2,(H,30,32)(H,33,34)/b28-14+
InChIKey
KGSYMESHBPIOGG-CCVNUDIWSA-N
Synonyms
497168-12-4
(2((E)(2(((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenoxy)aceticacid
(E)2(2((2(2((4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetyl)hydrazono)methyl)phenoxy)aceticacid
2(2((E)((2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenoxy)aceticacid
497168124
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)NN=CC5=CC=CC=C5OCC(=O)O
InChI=1SC27H24N4O5S2c3222(302814178461220(17)361523(33)34)163727292524(1911571321(19)3825)26(35)31(27)1892131018h1468101214H5711131516H2(H3032)(H3334)b2814+
MFCD03217506
O=C(CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3)NN=Cc1ccccc1OCC(=O)O
ZINC000002219644
ZINC102642173

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Available files

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