Vitas-M small molecule compound

(5Z)-5-{[3-(3-chloro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4(5H)-one

Catalog ID
STK706640
SMILES CCCOc1ccc(cc1Cl)c1nn(cc1/C=C/1\SC(=NC1=O)N1CC(C)OC(C1)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 C28H29ClN4O3S MW 537.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClN4O3S/c1-4-12-35-24-11-10-20(13-23(24)29)26-21(17-33(31-26)22-8-6-5-7-9-22)14-25-27(34)30-28(37-25)32-15-18(2)36-19(3)16-32/h5-11,13-14,17-19H,4,12,15-16H2,1-3H3/b25-14-
InChIKey
PCQZQCJXNPZBAD-QFEZKATASA-N
Synonyms
1009187-02-3
(5Z)5((3(3chloro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2(26dimethylmorpholin4yl)13thiazol4(5H)one
(5Z)5((3(3CHLORO4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(26DIMETHYLMORPHOLIN4YL)13THIAZOL4ONE
(Z)5((3(3chloro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylene)2(26dimethylmorpholino)thiazol4(5H)one
1009187023
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CC(OC(C4)C)C)C5=CC=CC=C5)Cl
CCCOc1ccc(cc1Cl)c1nn(cc1C=C1SC(=NC1=O)N1CC(C)OC(C1)C)c1ccccc1
InChI=1SC28H29ClN4O3Sc14123524111020(1323(24)29)2621(1733(3126)228657922)142527(34)3028(3725)321518(2)3619(3)1632h51113141719H4121516H213H3b2514
MFCD04004765
ZINC000002259298
ZINC000101025350

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Available files

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