Vitas-M small molecule compound

(2Z)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)ethanamide

Catalog ID
STK740465
SMILES CCCCc1ccc(cc1)CC1S/C(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/N(C1=O)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 C30H29N3O2S MW 495.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O2S/c1-3-4-8-22-13-15-23(16-14-22)19-27-29(35)33(25-9-6-5-7-10-25)30(36-27)26(20-31)28(34)32-24-17-11-21(2)12-18-24/h5-7,9-18,27H,3-4,8,19H2,1-2H3,(H,32,34)/b30-26-
InChIKey
SSSLKBGSWXQEDG-BXVZCJGGSA-N
Synonyms

(2Z)2(5((4BUTYLPHENYL)METHYL)4OXO3PHENYL13THIAZOLIDIN2YLIDENE)2CYANON(4METHYLPHENYL)ACETAMIDE
(2Z)2(5(4butylbenzyl)4oxo3phenyl13thiazolidin2ylidene)2cyanoN(4methylphenyl)ethanamide
(E)2(5(4butylbenzyl)4oxo3phenylthiazolidin2ylidene)2cyanoN(ptolyl)acetamide
2(5((4BUTYLPHENYL)METHYL)4OXO3PHENYL(13THIAZOLIDIN2YLIDENE))2CYANON(4METHYLPHENYL)ACETAMIDE
CCCCC1=CC=C(C=C1)CC2C(=O)N(C(=C(C#N)C(=O)NC3=CC=C(C=C3)C)S2)C4=CC=CC=C4
CCCCc1ccc(cc1)CC1SC(=C(C(=O)Nc2ccc(cc2)C)C#N)N(C1=O)c1ccccc1
InChI=1SC30H29N3O2Sc134822131523(161422)192729(35)33(2596571025)30(3627)26(2031)28(34)3224171121(2)121824h5791827H34819H212H3(H3234)b3026
MFCD06438300
ZINC000012273764
ZINC000012273765

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Available files

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