Vitas-M small molecule compound

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

Catalog ID
STK800815
SMILES Oc1cccc(c1)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 C29H21N3O5S2 MW 555.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N3O5S2/c1-16-9-11-17(12-10-16)15-38-29-31-30-28(39-29)32-24(19-6-4-7-20(33)13-19)23(26(35)27(32)36)25(34)22-14-18-5-2-3-8-21(18)37-22/h2-14,24,33,35H,15H2,1H3
InChIKey
RFLJRQXHFYXVEB-UHFFFAOYSA-N
Synonyms

3(1BENZOFURAN2CARBONYL)4HYDROXY2(3HYDROXYPHENYL)1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)3hydroxy5(3hydroxyphenyl)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)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(=CC=C6)O
InChI=1SC29H21N3O5S2c11691117(121016)153829313028(3929)3224(1964720(33)1319)23(26(35)27(32)36)25(34)221418523821(18)3722h214243335H15H21H3
MFCD04148027
ZINC000008384040
ZINC000008384044

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Available files

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