Vitas-M small molecule compound
ethyl (5Z)-5-{[(3,3-diphenylpropyl)amino]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL446386
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\NCCC(c2ccccc2)c2ccccc2)/C1=O
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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 C29H28N2O3S MW 484.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O3S/c1-2-34-29(33)26-27(32)25(35-28(26)31-23-16-10-5-11-17-23)20-30-19-18-24(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,20,24,30-31H,2,18-19H2,1H3/b25-20-InChIKey
PHSKZZAMKBYVRA-QQTULTPQSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=CNCCC(c2ccccc2)c2ccccc2)C1=O
CCOC(=O)C1=C(SC(=CNCCC(C2=CC=CC=C2)C3=CC=CC=C3)C1=O)NC4=CC=CC=C4
ETHYL(5Z)2ANILINO5((33DIPHENYLPROPYLAMINO)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(((33diphenylpropyl)amino)methylidene)4oxo2(phenylamino)45dihydrothiophene3carboxylate
InChI=1SC29H28N2O3Sc123429(33)2627(32)25(3528(26)312316105111723)2030191824(21126371321)22148491522h31720243031H21819H21H3b2520
MFCD02069400
ZINC000100646998
ZINC100646998
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