Vitas-M small molecule compound
(5Z)-2-(4-benzylpiperazin-1-yl)-5-{[3-(3-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1,3-thiazol-4(5H)-one
Catalog ID
STK707027
SMILES CCCCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCN(CC1)Cc1ccccc1)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 C34H35N5O2S MW 577.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H35N5O2S/c1-2-3-21-41-30-16-10-13-27(22-30)32-28(25-39(36-32)29-14-8-5-9-15-29)23-31-33(40)35-34(42-31)38-19-17-37(18-20-38)24-26-11-6-4-7-12-26/h4-16,22-23,25H,2-3,17-21,24H2,1H3/b31-23-InChIKey
PVKHKFBWMIKMOF-SXBRIOAWSA-NSynonyms
(5Z)2(4benzylpiperazin1yl)5((3(3butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)13thiazol4(5H)one
(5Z)2(4BENZYLPIPERAZIN1YL)5((3(3BUTOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)13THIAZOL4ONE
(Z)2(4benzylpiperazin1yl)5((3(3butoxyphenyl)1phenyl1Hpyrazol4yl)methylene)thiazol4(5H)one
CCCCOC1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCN(CC4)CC5=CC=CC=C5)C6=CC=CC=C6
CCCCOc1cccc(c1)c1nn(cc1C=C1SC(=NC1=O)N1CCN(CC1)Cc1ccccc1)c1ccccc1
InChI=1SC34H35N5O2Sc12321413016101327(2230)3228(2539(3632)29148591529)233133(40)3534(4231)38191737(182038)2426116471226h416222325H23172124H21H3b3123
MFCD04026599
ZINC000097947259
ZINC97947259
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