Vitas-M small molecule compound
1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK882432
SMILES COc1ccc(cc1OC)C1C(=C(C(=O)N1c1nnc(s1)SCc1ccccc1)O)C(=O)c1cccs1
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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 C26H21N3O5S3 MW 551.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O5S3/c1-33-17-11-10-16(13-18(17)34-2)21-20(22(30)19-9-6-12-35-19)23(31)24(32)29(21)25-27-28-26(37-25)36-14-15-7-4-3-5-8-15/h3-13,21,31H,14H2,1-2H3InChIKey
LMHOSRSDPYBWAA-UHFFFAOYSA-NSynonyms
1(5(benzylsulfanyl)134thiadiazol2yl)5(34dimethoxyphenyl)3hydroxy4(thiophen2ylcarbonyl)15dihydro2Hpyrrol2one
1(5benzylsulfanyl134thiadiazol2yl)2(34dimethoxyphenyl)4hydroxy3(thiophene2carbonyl)2Hpyrrol5one
COC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC=CS5)OC
InChI=1SC26H21N3O5S3c13317111016(1318(17)342)2120(22(30)1996123519)23(31)24(32)29(21)25272826(3725)3614157435815h3132131H14H212H3
MFCD03520016
ZINC000098046715
ZINC000098046716
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