Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{(2E)-2-[(2E)-(4-methoxybenzylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl}acetamide
Catalog ID
STL019137
SMILES COc1ccc(cc1)/C=N/N=C/1\NC(=O)C(S1)CC(=O)Nc1sc2c(c1C#N)CCCC2
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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 C22H21N5O3S2 MW 467.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O3S2/c1-30-14-8-6-13(7-9-14)12-24-27-22-26-20(29)18(32-22)10-19(28)25-21-16(11-23)15-4-2-3-5-17(15)31-21/h6-9,12,18H,2-5,10H2,1H3,(H,25,28)(H,26,27,29)/b24-12+InChIKey
QPNOTQLVYUCXCR-WYMPLXKRSA-NSynonyms
857493-88-0857493880
COC1=CC=C(C=C1)C=NNC2=NC(=O)C(S2)CC(=O)NC3=C(C4=C(S3)CCCC4)C#N
COc1ccc(cc1)C=NN=C1NC(=O)C(S1)CC(=O)Nc1sc2c(c1C#N)CCCC2
InChI=1SC22H21N5O3S2c130148613(7914)122427222620(29)18(3222)1019(28)252116(1123)15423517(15)3121h691218H2510H21H3(H2528)(H262729)b2412+
MFCD05718991
N(3cyano4567tetrahydro1benzothiophen2yl)2((2E)2((2E)(4methoxybenzylidene)hydrazinylidene)4oxo13thiazolidin5yl)acetamide
N(3cyano4567tetrahydro1benzothiophen2yl)2(2((2E)2((4methoxyphenyl)methylidene)hydrazinyl)4oxo13thiazol5yl)acetamide
ZINC000016945068
ZINC000016945072
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