Vitas-M small molecule compound
6-[(5Z)-5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Catalog ID
STK810717
SMILES CCCCOc1ccc(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 C29H31N3O4S2 MW 549.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O4S2/c1-2-3-18-36-24-15-13-21(14-16-24)27-22(20-32(30-27)23-10-6-4-7-11-23)19-25-28(35)31(29(37)38-25)17-9-5-8-12-26(33)34/h4,6-7,10-11,13-16,19-20H,2-3,5,8-9,12,17-18H2,1H3,(H,33,34)/b25-19-InChIKey
YGGZRSKUDVYZHN-PLRJNAJWSA-NSynonyms
6((5Z)5((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
6((5Z)5((3(4BUTOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOICACID
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O)C4=CC=CC=C4
CCCCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CCCCCC(=O)O)c1ccccc1
InChI=1SC29H31N3O4S2c123183624151321(141624)2722(2032(3027)23106471123)192528(35)31(29(37)3825)179581226(33)34h467101113161920H23589121718H21H3(H3334)b2519
MFCD03933022
ZINC000100840480
ZINC100840480
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