Vitas-M small molecule compound

2-{(5Z)-5-[(1-methyl-1H-indol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic acid

Catalog ID
STK995258
SMILES OC(=O)CCC(N1C(=S)S/C(=C\c2cn(c3c2cccc3)C)/C1=O)C(=O)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 C18H16N2O5S2 MW 404.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O5S2/c1-19-9-10(11-4-2-3-5-12(11)19)8-14-16(23)20(18(26)27-14)13(17(24)25)6-7-15(21)22/h2-5,8-9,13H,6-7H2,1H3,(H,21,22)(H,24,25)/b14-8-
InChIKey
YYONBJMERXAXBK-ZSOIEALJSA-N
Synonyms

(Z)2(5((1methyl1Hindol3yl)methylene)4oxo2thioxothiazolidin3yl)pentanedioicacid
2((5Z)5((1methyl1Hindol3yl)methylidene)4oxo2thioxo13thiazolidin3yl)pentanedioicacid
2((5Z)5((1METHYLINDOL3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PENTANEDIOICACID
CN1C=C(C2=CC=CC=C21)C=C3C(=O)N(C(=S)S3)C(CCC(=O)O)C(=O)O
InChI=1SC18H16N2O5S2c119910(11423512(11)19)81416(23)20(18(26)2714)13(17(24)25)6715(21)22h258913H67H21H3(H2122)(H2425)b148
MFCD04182399
OC(=O)CCC(N1C(=S)SC(=Cc2cn(c3c2cccc3)C)C1=O)C(=O)O
ZINC000013777030
ZINC000013777033

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Available files

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