Vitas-M small molecule compound
(5Z)-3-benzyl-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK880735
SMILES COc1cc(ccc1OC)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1)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 C28H23N3O3S2 MW 513.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O3S2/c1-33-23-14-13-20(15-24(23)34-2)26-21(18-31(29-26)22-11-7-4-8-12-22)16-25-27(32)30(28(35)36-25)17-19-9-5-3-6-10-19/h3-16,18H,17H2,1-2H3/b25-16-InChIKey
XDCRCGPGUHSHLB-XYGWBWBKSA-NSynonyms
(5Z)3benzyl5((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3BENZYL5((3(34DIMETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3BENZYL5((3(34DIMETHOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)2THIOXOTHIAZOLIDIN4ONE
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)C5=CC=CC=C5)OC
COc1cc(ccc1OC)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccccc1)c1ccccc1
InChI=1SC28H23N3O3S2c13323141320(1524(23)342)2621(1831(2926)22117481222)162527(32)30(28(35)3625)171995361019h31618H17H212H3b2516
MFCD04441326
ZINC000002533032
ZINC02533032
ZINC2533032
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