Vitas-M small molecule compound
2-(2-methoxy-4-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}phenoxy)-N-(2-methoxyphenyl)acetamide
Catalog ID
STL381955
SMILES COc1cc(ccc1OCC(=O)Nc1ccccc1OC)/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 C27H26N4O5S MW 518.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O5S/c1-34-20-9-5-4-8-19(20)30-24(32)15-36-21-12-11-17(13-22(21)35-2)14-29-31-16-28-26-25(27(31)33)18-7-3-6-10-23(18)37-26/h4-5,8-9,11-14,16H,3,6-7,10,15H2,1-2H3,(H,30,32)/b29-14+InChIKey
ZRHWQJBDOCOHOD-IPPBACCNSA-NSynonyms
2(2methoxy4((E)((4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)imino)methyl)phenoxy)N(2methoxyphenyl)acetamide
2(2methoxy4((E)(4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)iminomethyl)phenoxy)N(2methoxyphenyl)acetamide
COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C=NN3C=NC4=C(C3=O)C5=C(S4)CCCC5)OC
COc1cc(ccc1OCC(=O)Nc1ccccc1OC)C=Nn1cnc2c(c1=O)c1CCCCc1s2
InChI=1SC27H26N4O5Sc13420954819(20)3024(32)153621121117(1322(21)352)14293116282625(27(31)33)187361023(18)3726h4589111416H3671015H212H3(H3032)b2914+
MFCD04083045
ZINC000033337590
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