Vitas-M small molecule compound

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

Catalog ID
STK706508
SMILES CCCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCCCCC1)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 C29H32N4O2S MW 500.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O2S/c1-3-17-35-25-14-13-22(18-21(25)2)27-23(20-33(31-27)24-11-7-6-8-12-24)19-26-28(34)30-29(36-26)32-15-9-4-5-10-16-32/h6-8,11-14,18-20H,3-5,9-10,15-17H2,1-2H3/b26-19-
InChIKey
COKGIDOXMYRBPK-XHPQRKPJSA-N
Synonyms

(5Z)2(azepan1yl)5((3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)13thiazol4(5H)one
(5Z)2(AZEPAN1YL)5((3(3METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)13THIAZOL4ONE
(E)2(azepan1yl)5((3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylene)thiazol4(5H)one
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCCC4)C5=CC=CC=C5)C
CCCOc1ccc(cc1C)c1nn(cc1C=C1SC(=NC1=O)N1CCCCCC1)c1ccccc1
InChI=1SC29H32N4O2Sc13173525141322(1821(25)2)2723(2033(3127)24117681224)192628(34)3029(3626)3215945101632h6811141820H359101517H212H3b2619
MFCD03418306
ZINC000027018684
ZINC27018684

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Available files

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