Vitas-M small molecule compound
2-chloro-4-(5-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}furan-2-yl)benzoic acid
Catalog ID
STL372298
SMILES OC(=O)c1ccc(cc1Cl)c1ccc(o1)/C=N/n1cnc2c(c1=O)c1CCCCc1s2
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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 C22H16ClN3O4S MW 453.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O4S/c23-16-9-12(5-7-14(16)22(28)29)17-8-6-13(30-17)10-25-26-11-24-20-19(21(26)27)15-3-1-2-4-18(15)31-20/h5-11H,1-4H2,(H,28,29)/b25-10+InChIKey
LSSAWZRKCJFLQC-KIBLKLHPSA-NSynonyms
2chloro4(5((E)((4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)imino)methyl)furan2yl)benzoicacid
2chloro4(5((E)(4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)iminomethyl)furan2yl)benzoicacid
C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CC=C(O4)C5=CC(=C(C=C5)C(=O)O)Cl
InChI=1SC22H16ClN3O4Sc2316912(5714(16)22(28)29)178613(3017)10252611242019(21(26)27)15312418(15)3120h511H14H2(H2829)b2510+
MFCD28952366
OC(=O)c1ccc(cc1Cl)c1ccc(o1)C=Nn1cnc2c(c1=O)c1CCCCc1s2
ZINC000098086645
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