Vitas-M small molecule compound

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

Catalog ID
STK705246
SMILES O=C1C(=C(C(N1c1nnc(s1)SCc1cccc2c1cccc2)c1cccs1)C(=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 C30H19N3O4S3 MW 581.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H19N3O4S3/c34-26(22-15-18-8-2-4-12-21(18)37-22)24-25(23-13-6-14-38-23)33(28(36)27(24)35)29-31-32-30(40-29)39-16-19-10-5-9-17-7-1-3-11-20(17)19/h1-15,25,35H,16H2
InChIKey
CBQSKATXXRJBFR-UHFFFAOYSA-N
Synonyms

3(1BENZOFURAN2CARBONYL)4HYDROXY1(5(NAPHTHALEN1YLMETHYLSULFANYL)134THIADIAZOL2YL)2THIOPHEN2YL2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)3hydroxy1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)5(thiophen2yl)15dihydro2Hpyrrol2one
C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)N4C(C(=C(C4=O)O)C(=O)C5=CC6=CC=CC=C6O5)C7=CC=CS7
InChI=1SC30H19N3O4S3c3426(2215188241221(18)3722)2425(23136143823)33(28(36)27(24)35)29313230(4029)3916191059177131120(17)19h1152535H16H2
MFCD04088613
ZINC000008441775
ZINC000008441776

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Available files

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