Vitas-M small molecule compound
1-(4-ethoxyphenyl)-4,10a-diphenyl-5,10a-dihydro-1H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione
Catalog ID
STL439506
SMILES CCOc1ccc(cc1)N1C(=O)C(=O)C2=C(Nc3c(SC12c1ccccc1)cccc3)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 C31H24N2O3S MW 504.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24N2O3S/c1-2-36-24-19-17-23(18-20-24)33-30(35)29(34)27-28(21-11-5-3-6-12-21)32-25-15-9-10-16-26(25)37-31(27,33)22-13-7-4-8-14-22/h3-20,32H,2H2,1H3InChIKey
SSBUITFAWKVOFJ-UHFFFAOYSA-NSynonyms
1(4ethoxyphenyl)410adiphenyl510adihydro1Hpyrrolo(23b)(15)benzothiazepine23dione
1(4ETHOXYPHENYL)410ADIPHENYL5HPYRROLO(23B)(15)BENZOTHIAZEPINE23DIONE
CCOC1=CC=C(C=C1)N2C(=O)C(=O)C3=C(NC4=CC=CC=C4SC32C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC31H24N2O3Sc123624191723(182024)3330(35)29(34)2728(21115361221)3225159101626(25)3731(2733)22137481422h32032H2H21H3
MFCD06244692
ZINC000003772528
ZINC000003772529
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