Vitas-M small molecule compound

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]benzoic acid

Catalog ID
STK568583
SMILES O=C(CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3)N/N=C/c1ccccc1C(=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 C26H22N4O4S2 MW 518.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O4S2/c31-21(29-27-14-16-8-4-5-11-18(16)25(33)34)15-35-26-28-23-22(19-12-6-7-13-20(19)36-23)24(32)30(26)17-9-2-1-3-10-17/h1-5,8-11,14H,6-7,12-13,15H2,(H,29,31)(H,33,34)/b27-14+
InChIKey
GUSHLUFLRMSTLJ-MZJWZYIUSA-N
Synonyms
612826-02-5
(E)2((2(2((4oxo3phenyl345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetyl)hydrazono)methyl)benzoicacid
2((E)((2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)hydrazinylidene)methyl)benzoicacid
2((E)(2(((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)hydrazinylidene)methyl)benzoicacid
612826025
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)NN=CC5=CC=CC=C5C(=O)O
InChI=1SC26H22N4O4S2c3121(292714168451118(16)25(33)34)153526282322(1912671320(19)3623)24(32)30(26)1792131017h1581114H67121315H2(H2931)(H3334)b2714+
MFCD03222417
O=C(CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3)NN=Cc1ccccc1C(=O)O
ZINC000001878102
ZINC15986253

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Available files

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