Vitas-M small molecule compound
(2-ethoxy-6-{(Z)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}phenoxy)acetic acid
Catalog ID
STL358513
SMILES CCOc1cccc(c1OCC(=O)O)/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 C21H21N3O5S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5S/c1-2-28-15-8-5-6-13(19(15)29-11-17(25)26)10-23-24-12-22-20-18(21(24)27)14-7-3-4-9-16(14)30-20/h5-6,8,10,12H,2-4,7,9,11H2,1H3,(H,25,26)/b23-10-InChIKey
CLROJIZATQBJAV-RMORIDSASA-NSynonyms
(2ethoxy6((Z)((4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)imino)methyl)phenoxy)aceticacid
2(2ethoxy6((Z)(4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)iminomethyl)phenoxy)aceticacid
CCOC1=CC=CC(=C1OCC(=O)O)C=NN2C=NC3=C(C2=O)C4=C(S3)CCCC4
CCOc1cccc(c1OCC(=O)O)C=Nn1cnc2c(c1=O)c1CCCCc1s2
InChI=1SC21H21N3O5Sc12281585613(19(15)291117(25)26)10232412222018(21(24)27)14734916(14)3020h5681012H247911H21H3(H2526)b2310
MFCD06669730
ZINC000015229667
ZINC1103863
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