Vitas-M small molecule compound

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

Catalog ID
STK800087
SMILES Brc1ccc(cc1)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 C29H20BrN3O4S2 MW 618.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20BrN3O4S2/c1-16-6-8-17(9-7-16)15-38-29-32-31-28(39-29)33-24(18-10-12-20(30)13-11-18)23(26(35)27(33)36)25(34)22-14-19-4-2-3-5-21(19)37-22/h2-14,24,35H,15H2,1H3
InChIKey
REWCLZOZWZKHBC-UHFFFAOYSA-N
Synonyms

3(1BENZOFURAN2CARBONYL)2(4BROMOPHENYL)4HYDROXY1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)5(4bromophenyl)3hydroxy1(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=C(C=C6)Br
InChI=1SC29H20BrN3O4S2c1166817(9716)153829323128(3929)3324(18101220(30)131118)23(26(35)27(33)36)25(34)221419423521(19)3722h2142435H15H21H3
MFCD04148015
ZINC000008383954
ZINC000008383960

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Available files

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