Vitas-M small molecule compound

4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

Catalog ID
STK800090
SMILES COc1cc(cc(c1OC)OC)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=C1C(=O)c1cc2c(o1)cccc2)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 C32H27N3O7S2 MW 629.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N3O7S2/c1-17-9-11-18(12-10-17)16-43-32-34-33-31(44-32)35-26(20-14-23(39-2)29(41-4)24(15-20)40-3)25(28(37)30(35)38)27(36)22-13-19-7-5-6-8-21(19)42-22/h5-15,26,37H,16H2,1-4H3
InChIKey
GTPPIILSVJYRCM-UHFFFAOYSA-N
Synonyms

3(1BENZOFURAN2CARBONYL)4HYDROXY1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)2(345TRIMETHOXYPHENYL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)3hydroxy1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)5(345trimethoxyphenyl)15dihydro2Hpyrrol2one
CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC(=C(C(=C6)OC)OC)OC
InChI=1SC32H27N3O7S2c11791118(121017)164332343331(4432)3526(201423(392)29(414)24(1520)403)25(28(37)30(35)38)27(36)221319756821(19)4222h5152637H16H214H3
MFCD04148020
ZINC000008383988
ZINC000008383992

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Available files

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