Vitas-M small molecule compound
(5Z)-3-hexyl-5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702662
SMILES CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCCC(C)C)c2ccccc2)/C1=O
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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 C30H35N3O2S2 MW 533.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N3O2S2/c1-4-5-6-10-18-32-29(34)27(37-30(32)36)20-24-21-33(25-11-8-7-9-12-25)31-28(24)23-13-15-26(16-14-23)35-19-17-22(2)3/h7-9,11-16,20-22H,4-6,10,17-19H2,1-3H3/b27-20-InChIKey
HQKXNXOLKLNSQI-OOAXWGSJSA-NSynonyms
(5Z)3hexyl5((3(4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3HEXYL5((3(4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3hexyl5((3(4(isopentyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCCC(C)C)C4=CC=CC=C4)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCCC(C)C)c2ccccc2)C1=O
InChI=1SC30H35N3O2S2c145610183229(34)27(3730(32)36)20242133(25118791225)3128(24)23131526(161423)35191722(2)3h7911162022H46101719H213H3b2720
MFCD02989850
ZINC000013800444
ZINC13800444
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