Vitas-M small molecule compound

5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one

Catalog ID
STK906959
SMILES CCOc1cc(ccc1OCCC(C)C)C1N(c2nnc(s2)SCc2ccc(cc2)C)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 C37H39N3O6S2 MW 685.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H39N3O6S2/c1-6-44-30-19-25(11-14-29(30)45-16-15-21(2)3)32-31(33(41)26-12-13-28-27(18-26)17-23(5)46-28)34(42)35(43)40(32)36-38-39-37(48-36)47-20-24-9-7-22(4)8-10-24/h7-14,18-19,21,23,32,42H,6,15-17,20H2,1-5H3
InChIKey
WSXWKYRSCBLMHF-UHFFFAOYSA-N
Synonyms

5(3ethoxy4(3methylbutoxy)phenyl)3hydroxy1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)4((2methyl23dihydro1benzofuran5yl)carbonyl)15dihydro2Hpyrrol2one
5(3ethoxy4(isopentyloxy)phenyl)3hydroxy4(2methyl23dihydrobenzofuran5carbonyl)1(5((4methylbenzyl)thio)134thiadiazol2yl)1Hpyrrol2(5H)one
MFCD18076405
ZINC000097967684
ZINC000097967687

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Available files

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