Vitas-M small molecule compound
6-[(5Z)-5-{[3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Catalog ID
STK810207
SMILES CCCOc1ccc(c(c1)C)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 C29H31N3O4S2 MW 549.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O4S2/c1-3-16-36-23-13-14-24(20(2)17-23)27-21(19-32(30-27)22-10-6-4-7-11-22)18-25-28(35)31(29(37)38-25)15-9-5-8-12-26(33)34/h4,6-7,10-11,13-14,17-19H,3,5,8-9,12,15-16H2,1-2H3,(H,33,34)/b25-18-InChIKey
ZDSHGCLAPAPSHC-BWAHOGKJSA-NSynonyms
6((5Z)5((3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
6((5Z)5((3(2METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOICACID
CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O)C4=CC=CC=C4)C
CCCOc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)CCCCCC(=O)O)c1ccccc1
InChI=1SC29H31N3O4S2c13163623131424(20(2)1723)2721(1932(3027)22106471122)182528(35)31(29(37)3825)159581226(33)34h467101113141719H3589121516H212H3(H3334)b2518
MFCD03462486
ZINC000100840155
ZINC100840155
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