Vitas-M small molecule compound
(5Z)-3-benzyl-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK880802
SMILES CCOc1ccc(cc1[N+](=O)[O-])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 C28H22N4O4S2 MW 542.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O4S2/c1-2-36-24-14-13-20(15-23(24)32(34)35)26-21(18-31(29-26)22-11-7-4-8-12-22)16-25-27(33)30(28(37)38-25)17-19-9-5-3-6-10-19/h3-16,18H,2,17H2,1H3/b25-16-InChIKey
MTTLMGPEHBAYNM-XYGWBWBKSA-NSynonyms
(5Z)3benzyl5((3(4ethoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3BENZYL5((3(4ETHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3BENZYL5((3(4ETHOXY3NITROPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)2THIOXOTHIAZOLIDIN4ONE
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)C5=CC=CC=C5)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccccc1)c1ccccc1
InChI=1SC28H22N4O4S2c123624141320(1523(24)32(34)35)2621(1831(2926)22117481222)162527(33)30(28(37)3825)171995361019h31618H217H21H3b2516
MFCD04441364
ZINC000002533048
ZINC2533048
Check stock
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Check stock on Vitas-MAvailable files
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