Vitas-M small molecule compound
ethyl {4-[(E)-{[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]imino}methyl]-2-ethoxyphenoxy}acetate
Catalog ID
STL506476
SMILES CCOC(=O)COc1ccc(cc1OCC)/C=N/c1sc2c(c1C(=O)NCc1ccccc1)CCCC2
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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 C29H32N2O5S MW 520.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O5S/c1-3-34-24-16-21(14-15-23(24)36-19-26(32)35-4-2)18-31-29-27(22-12-8-9-13-25(22)37-29)28(33)30-17-20-10-6-5-7-11-20/h5-7,10-11,14-16,18H,3-4,8-9,12-13,17,19H2,1-2H3,(H,30,33)/b31-18+InChIKey
IMCJJQABDPOWLO-FDAWAROLSA-NSynonyms
9675627
ethyl(4((E)((3(benzylcarbamoyl)4567tetrahydro1benzothiophen2yl)imino)methyl)2ethoxyphenoxy)acetate
ethyl2(4((~(E))(3(benzylcarbamoyl)4567tetrahydro1benzothiophen2yl)iminomethyl)2ethoxyphenoxy)acetate
InChI=1SC29H32N2O5Sc1334241621(141523(24)361926(32)3542)18312927(2212891325(22)3729)28(33)301720106571120h571011141618H348912131719H212H3(H3033)b3118+
MFCD02793282
ZINC000016688986
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