Vitas-M small molecule compound

(2Z)-N-(4-butylphenyl)-2-[5-(2-chlorobenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoethanamide

Catalog ID
STK740491
SMILES CCCCc1ccc(cc1)NC(=O)/C(=C/1\SC(C(=O)N1c1ccccc1)Cc1ccccc1Cl)/C#N

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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 C29H26ClN3O2S MW 516.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26ClN3O2S/c1-2-3-9-20-14-16-22(17-15-20)32-27(34)24(19-31)29-33(23-11-5-4-6-12-23)28(35)26(36-29)18-21-10-7-8-13-25(21)30/h4-8,10-17,26H,2-3,9,18H2,1H3,(H,32,34)/b29-24-
InChIKey
NXVJIBDAJQLPPG-OLFWJLLRSA-N
Synonyms

(2Z)N(4BUTYLPHENYL)2(5((2CHLOROPHENYL)METHYL)4OXO3PHENYL13THIAZOLIDIN2YLIDENE)2CYANOACETAMIDE
(2Z)N(4butylphenyl)2(5(2chlorobenzyl)4oxo3phenyl13thiazolidin2ylidene)2cyanoethanamide
(E)N(4butylphenyl)2(5(2chlorobenzyl)4oxo3phenylthiazolidin2ylidene)2cyanoacetamide
CCCCC1=CC=C(C=C1)NC(=O)C(=C2N(C(=O)C(S2)CC3=CC=CC=C3Cl)C4=CC=CC=C4)C#N
CCCCc1ccc(cc1)NC(=O)C(=C1SC(C(=O)N1c1ccccc1)Cc1ccccc1Cl)C#N
InChI=1SC29H26ClN3O2Sc123920141622(171520)3227(34)24(1931)2933(23115461223)28(35)26(3629)182110781325(21)30h48101726H23918H21H3(H3234)b2924
MFCD06438330
N(4BUTYLPHENYL)2(5((2CHLOROPHENYL)METHYL)4OXO3PHENYL(13THIAZOLIDIN2YLIDENE))2CYANOACETAMIDE
ZINC000012273782
ZINC000012273783

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.