Vitas-M small molecule compound

N-[(5Z)-5-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-methylbenzamide

Catalog ID
STK809172
SMILES COc1ccc(cc1Br)c1nn(cc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccc(cc1)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 C28H21BrN4O3S2 MW 605.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21BrN4O3S2/c1-17-8-10-18(11-9-17)26(34)31-33-27(35)24(38-28(33)37)15-20-16-32(21-6-4-3-5-7-21)30-25(20)19-12-13-23(36-2)22(29)14-19/h3-16H,1-2H3,(H,31,34)/b24-15-
InChIKey
WGQLRCVIFSHWQN-IWIPYMOSSA-N
Synonyms

CC1=CC=C(C=C1)C(=O)NN2C(=O)C(=CC3=CN(N=C3C4=CC(=C(C=C4)OC)Br)C5=CC=CC=C5)SC2=S
COc1ccc(cc1Br)c1nn(cc1C=C1SC(=S)N(C1=O)NC(=O)c1ccc(cc1)C)c1ccccc1
InChI=1SC28H21BrN4O3S2c11781018(11917)26(34)313327(35)24(3828(33)37)15201632(216435721)3025(20)19121323(362)22(29)1419h316H12H3(H3134)b2415
MFCD03461236
N((5Z)5((3(3bromo4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)4methylbenzamide
N((5Z)5((3(3BROMO4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)4METHYLBENZAMIDE
ZINC000100740448
ZINC100740448

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Available files

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