Vitas-M small molecule compound
N-benzyl-2-{[(Z)-{4-[(2-cyanobenzyl)oxy]-3-methoxyphenyl}methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK675473
SMILES COc1cc(ccc1OCc1ccccc1C#N)/C=N\c1sc2c(c1C(=O)NCc1ccccc1)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 C32H29N3O3S MW 535.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N3O3S/c1-37-28-17-23(15-16-27(28)38-21-25-12-6-5-11-24(25)18-33)20-35-32-30(26-13-7-8-14-29(26)39-32)31(36)34-19-22-9-3-2-4-10-22/h2-6,9-12,15-17,20H,7-8,13-14,19,21H2,1H3,(H,34,36)/b35-20-InChIKey
ULKUZOCBFCPVMQ-OJYCWLPVSA-NSynonyms
COC1=C(C=CC(=C1)C=NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4)OCC5=CC=CC=C5C#N
COc1cc(ccc1OCc1ccccc1C#N)C=Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2
InChI=1SC32H29N3O3Sc137281723(151627(28)38212512651124(25)1833)20353230(2613781429(26)3932)31(36)34192293241022h26912151720H7813141921H21H3(H3436)b3520
MFCD01821827
Nbenzyl2(((Z)(4((2cyanobenzyl)oxy)3methoxyphenyl)methylidene)amino)4567tetrahydro1benzothiophene3carboxamide
Nbenzyl2((Z)(4((2cyanophenyl)methoxy)3methoxyphenyl)methylideneamino)4567tetrahydro1benzothiophene3carboxamide
ZINC000100079380
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