Vitas-M small molecule compound
(5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(4-methoxybenzyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK816176
SMILES CCOc1ccc(cc1Cl)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccc(cc1)OC)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 C29H24ClN3O3S2 MW 562.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClN3O3S2/c1-3-36-25-14-11-20(15-24(25)30)27-21(18-33(31-27)22-7-5-4-6-8-22)16-26-28(34)32(29(37)38-26)17-19-9-12-23(35-2)13-10-19/h4-16,18H,3,17H2,1-2H3/b26-16-InChIKey
KSEWEHGOLWQKFZ-QQXSKIMKSA-NSynonyms
(5Z)5((3(3chloro4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(4methoxybenzyl)2thioxo13thiazolidin4one
(5Z)5((3(3CHLORO4ETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3((4METHOXYPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)OC)C5=CC=CC=C5)Cl
CCOc1ccc(cc1Cl)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccc(cc1)OC)c1ccccc1
InChI=1SC29H24ClN3O3S2c133625141120(1524(25)30)2721(1833(3127)227546822)162628(34)32(29(37)3826)171991223(352)131019h41618H317H212H3b2616
MFCD04584907
ZINC000097946567
ZINC97946567
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