Vitas-M small molecule compound
5-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzene-1,3-dicarboxylic acid
Catalog ID
STL372300
SMILES OC(=O)c1cc(cc(c1)c1ccc(o1)/C=N/n1cnc2c(c1=O)c1CCCCc1s2)C(=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 C23H17N3O6S MW 463.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O6S/c27-21-19-16-3-1-2-4-18(16)33-20(19)24-11-26(21)25-10-15-5-6-17(32-15)12-7-13(22(28)29)9-14(8-12)23(30)31/h5-11H,1-4H2,(H,28,29)(H,30,31)/b25-10+InChIKey
XMYSUALEDCBBJC-KIBLKLHPSA-NSynonyms
5(5((E)((4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)imino)methyl)furan2yl)benzene13dicarboxylicacid
5(5((E)(4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)iminomethyl)furan2yl)benzene13dicarboxylicacid
C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CC=C(O4)C5=CC(=CC(=C5)C(=O)O)C(=O)O
InChI=1SC23H17N3O6Sc27211916312418(16)3320(19)241126(21)2510155617(3215)12713(22(28)29)914(812)23(30)31h511H14H2(H2829)(H3031)b2510+
MFCD28952368
OC(=O)c1cc(cc(c1)c1ccc(o1)C=Nn1cnc2c(c1=O)c1CCCCc1s2)C(=O)O
ZINC000002994525
ZINC2994524
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