Vitas-M small molecule compound
methyl 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)benzoate
Catalog ID
STL372299
SMILES COC(=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 C23H18ClN3O4S MW 467.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN3O4S/c1-30-23(29)15-8-6-13(10-17(15)24)18-9-7-14(31-18)11-26-27-12-25-21-20(22(27)28)16-4-2-3-5-19(16)32-21/h6-12H,2-5H2,1H3/b26-11+InChIKey
VMRDSNABZGCGOJ-KBKYJPHKSA-NSynonyms
COC(=O)C1=C(C=C(C=C1)C2=CC=C(O2)C=NN3C=NC4=C(C3=O)C5=C(S4)CCCC5)Cl
COC(=O)c1ccc(cc1Cl)c1ccc(o1)C=Nn1cnc2c(c1=O)c1CCCCc1s2
InChI=1SC23H18ClN3O4Sc13023(29)158613(1017(15)24)189714(3118)11262712252120(22(27)28)16423519(16)3221h612H25H21H3b2611+
methyl2chloro4(5((E)((4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)imino)methyl)furan2yl)benzoate
methyl2chloro4(5((E)(4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)iminomethyl)furan2yl)benzoate
MFCD28952367
ZINC000002995766
ZINC02995765
ZINC2995765
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