Vitas-M small molecule compound

6-[(5Z)-5-({3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid

Catalog ID
STK810719
SMILES CCCCCCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCCCC(=O)O)c1ccccc1

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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 C31H35N3O4S2 MW 577.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O4S2/c1-2-3-4-11-20-38-26-17-15-23(16-18-26)29-24(22-34(32-29)25-12-7-5-8-13-25)21-27-30(37)33(31(39)40-27)19-10-6-9-14-28(35)36/h5,7-8,12-13,15-18,21-22H,2-4,6,9-11,14,19-20H2,1H3,(H,35,36)/b27-21-
InChIKey
PMCQWMGVPZZGBY-MEFGMAGPSA-N
Synonyms

6((5Z)5((3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
6((5Z)5((3(4HEXOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOICACID
CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O)C4=CC=CC=C4
CCCCCCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CCCCCC(=O)O)c1ccccc1
InChI=1SC31H35N3O4S2c123411203826171523(161826)2924(2234(3229)25127581325)212730(37)33(31(39)4027)1910691428(35)36h578121315182122H246911141920H21H3(H3536)b2721
MFCD03933024
ZINC000100840481
ZINC100840481

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Available files

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