Vitas-M small molecule compound
(5Z)-2-(azepan-1-yl)-5-({3-[3-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-1,3-thiazol-4(5H)-one
Catalog ID
STK702971
SMILES CC(Oc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCCCCC1)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 C29H32N4O2S MW 500.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O2S/c1-20(2)35-25-14-13-22(17-21(25)3)27-23(19-33(31-27)24-11-7-6-8-12-24)18-26-28(34)30-29(36-26)32-15-9-4-5-10-16-32/h6-8,11-14,17-20H,4-5,9-10,15-16H2,1-3H3/b26-18-InChIKey
UUDGURIXTRUVFN-ITYLOYPMSA-NSynonyms
(5Z)2(azepan1yl)5((3(3methyl4(propan2yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)13thiazol4(5H)one
(5Z)2(AZEPAN1YL)5((3(3METHYL4PROPAN2YLOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)13THIAZOL4ONE
(E)2(azepan1yl)5((3(4isopropoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)thiazol4(5H)one
CC(Oc1ccc(cc1C)c1nn(cc1C=C1SC(=NC1=O)N1CCCCCC1)c1ccccc1)C
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCCC4)C5=CC=CC=C5)OC(C)C
InChI=1SC29H32N4O2Sc120(2)3525141322(1721(25)3)2723(1933(3127)24117681224)182628(34)3029(3626)3215945101632h6811141720H459101516H213H3b2618
MFCD03417008
ZINC000026687551
ZINC26687551
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