Vitas-M small molecule compound
3-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-5-[3-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK906522
SMILES CCCCCOc1cccc(c1)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 C35H35N3O5S2 MW 641.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35N3O5S2/c1-4-5-6-16-42-27-9-7-8-24(19-27)30-29(31(39)25-14-15-28-26(18-25)17-22(3)43-28)32(40)33(41)38(30)34-36-37-35(45-34)44-20-23-12-10-21(2)11-13-23/h7-15,18-19,22,30,40H,4-6,16-17,20H2,1-3H3InChIKey
GZUVFJHDXVOIRK-UHFFFAOYSA-NSynonyms
3hydroxy1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)4((2methyl23dihydro1benzofuran5yl)carbonyl)5(3(pentyloxy)phenyl)15dihydro2Hpyrrol2one
3hydroxy4(2methyl23dihydrobenzofuran5carbonyl)1(5((4methylbenzyl)thio)134thiadiazol2yl)5(3(pentyloxy)phenyl)1Hpyrrol2(5H)one
MFCD18076345
ZINC000097967628
ZINC000097967631
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