Vitas-M small molecule compound

5-[4-(benzyloxy)-3-ethoxyphenyl]-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-hydroxy-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one

Catalog ID
STK904764
SMILES CCOc1cc(ccc1OCc1ccccc1)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=C1C(=O)c1ccc2c(c1)CC(O2)C)O

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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 C38H32FN3O6S2 MW 709.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H32FN3O6S2/c1-3-46-31-19-24(13-16-30(31)47-20-23-9-5-4-6-10-23)33-32(34(43)25-14-15-29-27(18-25)17-22(2)48-29)35(44)36(45)42(33)37-40-41-38(50-37)49-21-26-11-7-8-12-28(26)39/h4-16,18-19,22,33,44H,3,17,20-21H2,1-2H3
InChIKey
BEQZGUPZGZIKEH-UHFFFAOYSA-N
Synonyms

5(4(benzyloxy)3ethoxyphenyl)1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)3hydroxy4((2methyl23dihydro1benzofuran5yl)carbonyl)15dihydro2Hpyrrol2one
5(4(benzyloxy)3ethoxyphenyl)1(5((2fluorobenzyl)thio)134thiadiazol2yl)3hydroxy4(2methyl23dihydrobenzofuran5carbonyl)1Hpyrrol2(5H)one
MFCD18076158
ZINC000097970200
ZINC000097970203

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Available files

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