Vitas-M small molecule compound
ethyl {(4E)-4-[(5Z)-5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl}acetate
Catalog ID
STK383501
SMILES CCOC(=O)CC1=NN(C(=O)/C/1=c\1/s/c(=c/2\sc3c(n2CC)cccc3)/c(=O)n1CC=C)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 C28H26N4O4S2 MW 546.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O4S2/c1-4-16-31-26(35)24(28-30(5-2)20-14-10-11-15-21(20)37-28)38-27(31)23-19(17-22(33)36-6-3)29-32(25(23)34)18-12-8-7-9-13-18/h4,7-15H,1,5-6,16-17H2,2-3H3/b27-23+,28-24-InChIKey
RYHNCHLTNSRSGG-YFMKTMAWSA-NSynonyms
CCN1C2=CC=CC=C2SC1=C3C(=O)N(C(=C4C(=NN(C4=O)C5=CC=CC=C5)CC(=O)OCC)S3)CC=C
CCOC(=O)CC1=NN(C(=O)C1=c1sc(=c2sc3c(n2CC)cccc3)c(=O)n1CC=C)c1ccccc1
ethyl((4E)4((5Z)5(3ethyl13benzothiazol2(3H)ylidene)4oxo3(prop2en1yl)13thiazolidin2ylidene)5oxo1phenyl45dihydro1Hpyrazol3yl)acetate
ETHYL2((4E)4((5Z)5(3ETHYL13BENZOTHIAZOL2YLIDENE)4OXO3PROP2ENYL13THIAZOLIDIN2YLIDENE)5OXO1PHENYLPYRAZOL3YL)ACETATE
ETHYL2(4(5(3ETHYL(3HYDROBENZOTHIAZOL2YLIDENE))4OXO3PROP2ENYL(13THIAZOLIDIN2YLIDENE))5OXO1PHENYL12DIAZOLIN3YL)ACETATE
InChI=1SC28H26N4O4S2c14163126(35)24(2830(52)201410111521(20)3728)3827(31)2319(1722(33)3663)2932(25(23)34)18128791318h4715H1561617H223H3b2723+2824
MFCD00632476
ZINC000100500053
ZINC100500053
Check stock
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Check stock on Vitas-MAvailable files
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