Vitas-M small molecule compound
(5Z)-3-(3-ethoxypropyl)-5-({3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799011
SMILES CCCCCCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCOCC)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 C30H35N3O3S2 MW 549.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N3O3S2/c1-3-5-6-10-20-36-26-16-14-23(15-17-26)28-24(22-33(31-28)25-12-8-7-9-13-25)21-27-29(34)32(30(37)38-27)18-11-19-35-4-2/h7-9,12-17,21-22H,3-6,10-11,18-20H2,1-2H3/b27-21-InChIKey
AHUCHASKVXUGSK-MEFGMAGPSA-NSynonyms
(5Z)3(3ethoxypropyl)5((3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(3ETHOXYPROPYL)5((3(4HEXOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCOCC)C4=CC=CC=C4
CCCCCCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CCCOCC)c1ccccc1
InChI=1SC30H35N3O3S2c135610203626161423(151726)2824(2233(3128)25128791325)212729(34)32(30(37)3827)1811193542h7912172122H3610111820H212H3b2721
MFCD03462197
ZINC000097946224
ZINC97946224
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