Vitas-M small molecule compound
3-[(5Z)-4-oxo-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STK533277
SMILES CCCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCC(=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 C25H23N3O4S2 MW 493.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4S2/c1-2-14-32-20-10-8-17(9-11-20)23-18(16-28(26-23)19-6-4-3-5-7-19)15-21-24(31)27(25(33)34-21)13-12-22(29)30/h3-11,15-16H,2,12-14H2,1H3,(H,29,30)/b21-15-InChIKey
JTJOMIJHKIVFRI-QNGOZBTKSA-NSynonyms
(Z)3(4oxo5((1phenyl3(4propoxyphenyl)1Hpyrazol4yl)methylene)2thioxothiazolidin3yl)propanoicacid
3((5Z)4oxo5((1phenyl3(4propoxyphenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin3yl)propanoicacid
3((5Z)4OXO5((1PHENYL3(4PROPOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4
CCCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CCC(=O)O)c1ccccc1
InChI=1SC25H23N3O4S2c1214322010817(91120)2318(1628(2623)196435719)152124(31)27(25(33)3421)131222(29)30h3111516H21214H21H3(H2930)b2115
MFCD02984984
ZINC000009065508
ZINC9065508
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