Vitas-M small molecule compound
(5Z)-3-(butan-2-yl)-5-{[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799149
SMILES CCOc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(CC)C)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 C26H27N3O2S2 MW 477.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O2S2/c1-5-18(4)29-25(30)23(33-26(29)32)15-19-16-28(20-10-8-7-9-11-20)27-24(19)22-13-12-21(31-6-2)14-17(22)3/h7-16,18H,5-6H2,1-4H3/b23-15-InChIKey
HHNKLLFWWDFFOC-HAHDFKILSA-NSynonyms
(5Z)3(butan2yl)5((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3butan2yl5((3(4ethoxy2methylphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCC(C)N1C(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3)OCC)C)C4=CC=CC=C4)SC1=S
CCOc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)C(CC)C)c1ccccc1
InChI=1SC26H27N3O2S2c1518(4)2925(30)23(3326(29)32)15191628(20108791120)2724(19)22131221(3162)1417(22)3h71618H56H214H3b2315
MFCD03418117
ZINC000002671914
ZINC000002671916
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