Vitas-M small molecule compound
2-(2-ethoxy-4-{(E)-[(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}phenoxy)-N-phenylacetamide
Catalog ID
STK376696
SMILES CCOc1cc(ccc1OCC(=O)Nc1ccccc1)/C=N/n1c(C)nc2c(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 C28H28N4O4S MW 516.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O4S/c1-3-35-23-15-19(13-14-22(23)36-17-25(33)31-20-9-5-4-6-10-20)16-29-32-18(2)30-27-26(28(32)34)21-11-7-8-12-24(21)37-27/h4-6,9-10,13-16H,3,7-8,11-12,17H2,1-2H3,(H,31,33)/b29-16+InChIKey
DEDWTBJXAGVMPX-MUFRIFMGSA-NSynonyms
2(2ethoxy4((E)((2methyl4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)imino)methyl)phenoxy)Nphenylacetamide
2(2ethoxy4((E)(2methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)iminomethyl)phenoxy)Nphenylacetamide
CCOC1=C(C=CC(=C1)C=NN2C(=NC3=C(C2=O)C4=C(S3)CCCC4)C)OCC(=O)NC5=CC=CC=C5
CCOc1cc(ccc1OCC(=O)Nc1ccccc1)C=Nn1c(C)nc2c(c1=O)c1CCCCc1s2
InChI=1SC28H28N4O4Sc1335231519(131422(23)361725(33)312095461020)16293218(2)302726(28(32)34)2111781224(21)3727h469101316H378111217H212H3(H3133)b2916+
MFCD01363127
ZINC000004178639
ZINC35212664
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