Vitas-M small molecule compound
(5E)-5-(3,4-diethoxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK816768
SMILES CCOc1cc(ccc1OCC)/C=C\1/SC(=S)N(C1=O)c1c(C)n(n(c1=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 C25H25N3O4S2 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4S2/c1-5-31-19-13-12-17(14-20(19)32-6-2)15-21-23(29)27(25(33)34-21)22-16(3)26(4)28(24(22)30)18-10-8-7-9-11-18/h7-15H,5-6H2,1-4H3/b21-15+InChIKey
VVGVFEZNCMERMS-RCCKNPSSSA-NSynonyms
(5E)5((34DIETHOXYPHENYL)METHYLIDENE)3(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)5(34diethoxybenzylidene)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)2thioxo13thiazolidin4one
(Z)5(34diethoxybenzylidene)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)2thioxothiazolidin4one
CCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)OCC
CCOc1cc(ccc1OCC)C=C1SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C
InChI=1SC25H25N3O4S2c153119131217(1420(19)3262)152123(29)27(25(33)3421)2216(3)26(4)28(24(22)30)18108791118h715H56H214H3b2115+
MFCD04446129
ZINC000026532018
ZINC26532018
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