Vitas-M small molecule compound
(5Z)-5-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK821653
SMILES COc1ccc(cc1Br)c1nn(cc1/C=C/1\SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C)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 C31H24BrN5O3S2 MW 658.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24BrN5O3S2/c1-19-28(30(39)37(34(19)2)23-12-8-5-9-13-23)36-29(38)26(42-31(36)41)17-21-18-35(22-10-6-4-7-11-22)33-27(21)20-14-15-25(40-3)24(32)16-20/h4-18H,1-3H3/b26-17-InChIKey
WJLHFCUXSBNYCT-ONUIUJJFSA-NSynonyms
(5Z)5((3(3bromo4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)2thioxo13thiazolidin4one
(5Z)5((3(3bromo4methoxyphenyl)1phenylpyrazol4yl)methylidene)3(15dimethyl3oxo2phenylpyrazol4yl)2sulfanylidene13thiazolidin4one
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(=CC4=CN(N=C4C5=CC(=C(C=C5)OC)Br)C6=CC=CC=C6)SC3=S
COc1ccc(cc1Br)c1nn(cc1C=C1SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C)c1ccccc1
InChI=1SC31H24BrN5O3S2c11928(30(39)37(34(19)2)23128591323)3629(38)26(4231(36)41)17211835(22106471122)3327(21)20141525(403)24(32)1620h418H13H3b2617
MFCD03462916
ZINC000097946942
ZINC97946942
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