Vitas-M small molecule compound
(5E)-2-(azepan-1-yl)-5-({3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-1,3-thiazol-4(5H)-one
Catalog ID
STK999618
SMILES C=CCOc1ccc(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 C29H30N4O2S MW 498.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O2S/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/h3,6-8,11-14,18-20H,1,4-5,9-10,15-17H2,2H3/b26-19+InChIKey
BTBAGDVRBXHMNC-LGUFXXKBSA-NSynonyms
(5E)2(azepan1yl)5((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)13thiazol4(5H)one
(5E)2(AZEPAN1YL)5((3(3METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)13THIAZOL4ONE
(E)5((3(4(allyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)2(azepan1yl)thiazol4(5H)one
C=CCOc1ccc(cc1C)c1nn(cc1C=C1SC(=NC1=O)N1CCCCCC1)c1ccccc1
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCCC4)C5=CC=CC=C5)OCC=C
InChI=1SC29H30N4O2Sc13173525141322(1821(25)2)2723(2033(3127)24117681224)192628(34)3029(3626)3215945101632h36811141820H1459101517H22H3b2619+
MFCD02995039
ZINC000013809956
ZINC13809956
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