Vitas-M small molecule compound
(5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(3-ethoxypropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799246
SMILES CCOCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2)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 C31H29N3O3S2 MW 555.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O3S2/c1-2-36-19-9-18-33-30(35)28(39-31(33)38)20-25-21-34(26-12-7-4-8-13-26)32-29(25)24-14-16-27(17-15-24)37-22-23-10-5-3-6-11-23/h3-8,10-17,20-21H,2,9,18-19,22H2,1H3/b28-20-InChIKey
IIWHAGFKZOHWEQ-RRAHZORUSA-NSynonyms
(5Z)3(3ETHOXYPROPYL)5((1PHENYL3(4PHENYLMETHOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5((3(4(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(3ethoxypropyl)2thioxo13thiazolidin4one
CCOCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5)SC1=S
CCOCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2)c2ccccc2)C1=O
InChI=1SC31H29N3O3S2c1236199183330(35)28(3931(33)38)20252134(26127481326)3229(25)24141627(171524)372223105361123h3810172021H29181922H21H3b2820
MFCD03418479
ZINC000100839869
ZINC100839869
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