Vitas-M small molecule compound
2-chloro-N-[(5Z)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Catalog ID
STK701461
SMILES CCOc1ccc(cc1[N+](=O)[O-])c1nn(cc1/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1Cl)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 C28H20ClN5O5S2 MW 606.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClN5O5S2/c1-2-39-23-13-12-17(14-22(23)34(37)38)25-18(16-32(30-25)19-8-4-3-5-9-19)15-24-27(36)33(28(40)41-24)31-26(35)20-10-6-7-11-21(20)29/h3-16H,2H2,1H3,(H,31,35)/b24-15-InChIKey
KOXKHJRBGYPXGL-IWIPYMOSSA-NSynonyms
2chloroN((5Z)5((3(4ethoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)benzamide
2CHLORON((5Z)5((3(4ETHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BENZAMIDE
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)NC(=O)C4=CC=CC=C4Cl)C5=CC=CC=C5)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))c1nn(cc1C=C1SC(=S)N(C1=O)NC(=O)c1ccccc1Cl)c1ccccc1
InChI=1SC28H20ClN5O5S2c123923131217(1422(23)34(37)38)2518(1632(3025)198435919)152427(36)33(28(40)4124)3126(35)2010671121(20)29h316H2H21H3(H3135)b2415
MFCD03461470
ZINC000100834029
ZINC100834029
Check stock
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Check stock on Vitas-MAvailable files
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