Vitas-M small molecule compound

11-[(5Z)-5-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid

Catalog ID
STK813840
SMILES CC(COc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCCCCCCCCC(=O)O)c1ccccc1)C

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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 C34H41N3O4S2 MW 619.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H41N3O4S2/c1-25(2)24-41-29-19-17-26(18-20-29)32-27(23-37(35-32)28-14-10-9-11-15-28)22-30-33(40)36(34(42)43-30)21-13-8-6-4-3-5-7-12-16-31(38)39/h9-11,14-15,17-20,22-23,25H,3-8,12-13,16,21,24H2,1-2H3,(H,38,39)/b30-22-
InChIKey
LKQPLVWEBFFBJR-SWKFRHMKSA-N
Synonyms

11((5Z)5((3(4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5((3(4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
11(5((3(4ISOBUTOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)4OXO2THIOXOTHIAZOLIDIN3YL)UNDECANOICACID
CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C4=CC=CC=C4
CC(COc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CCCCCCCCCCC(=O)O)c1ccccc1)C
InChI=1SC34H41N3O4S2c125(2)244129191726(182029)3227(2337(3532)2814109111528)223033(40)36(34(42)4330)2113864357121631(38)39h91114151720222325H381213162124H212H3(H3839)b3022
MFCD03213418
ZINC000100871841
ZINC100871841

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Available files

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