Vitas-M small molecule compound
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
STK698728
SMILES OC(=O)c1ccc(cc1)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 C22H17N3O4S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4S/c26-21-19-16-3-1-2-4-18(16)30-20(19)23-12-25(21)24-11-15-9-10-17(29-15)13-5-7-14(8-6-13)22(27)28/h5-12H,1-4H2,(H,27,28)/b24-11+InChIKey
XDVBQFQMUZASQM-BHGWPJFGSA-NSynonyms
357176-04-6(E)4(5(((4oxo5678tetrahydrobenzo(45)thieno(23d)pyrimidin3(4H)yl)imino)methyl)furan2yl)benzoicacid
357176046
4(5((E)((4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)imino)methyl)furan2yl)benzoicacid
4(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
InChI=1SC22H17N3O4Sc26211916312418(16)3020(19)231225(21)24111591017(2915)135714(8613)22(27)28h512H14H2(H2728)b2411+
MFCD01133417
OC(=O)c1ccc(cc1)c1ccc(o1)C=Nn1cnc2c(c1=O)c1CCCCc1s2
ZINC000001197436
ZINC1197435
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