Vitas-M small molecule compound
3-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(3-methylbutoxy)phenyl]-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK905278
SMILES CC(CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=C1C(=O)c1ccc2c(c1)CC(O2)C)O)C
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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 C35H35N3O5S2 MW 641.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35N3O5S2/c1-20(2)14-15-42-27-7-5-6-24(18-27)30-29(31(39)25-12-13-28-26(17-25)16-22(4)43-28)32(40)33(41)38(30)34-36-37-35(45-34)44-19-23-10-8-21(3)9-11-23/h5-13,17-18,20,22,30,40H,14-16,19H2,1-4H3InChIKey
AHTBQTNYGQAKDN-UHFFFAOYSA-NSynonyms
3hydroxy1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)5(3(3methylbutoxy)phenyl)4((2methyl23dihydro1benzofuran5yl)carbonyl)15dihydro2Hpyrrol2one
3hydroxy5(3(isopentyloxy)phenyl)4(2methyl23dihydrobenzofuran5carbonyl)1(5((4methylbenzyl)thio)134thiadiazol2yl)1Hpyrrol2(5H)one
MFCD18065074
ZINC000097967497
ZINC000097967500
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