Vitas-M small molecule compound

5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STL049977
SMILES O=C1/C(=C/c2ccc3c(c2)CCCN3Cc2ccccc2)/C(=O)N(C(=S)N1c1ccccc1)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 C33H27N3O2S MW 529.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27N3O2S/c37-31-29(22-25-18-19-30-26(21-25)13-10-20-34(30)23-24-11-4-1-5-12-24)32(38)36(28-16-8-3-9-17-28)33(39)35(31)27-14-6-2-7-15-27/h1-9,11-12,14-19,21-22H,10,13,20,23H2
InChIKey
QEHSCNRPOSGRBV-UHFFFAOYSA-N
Synonyms
841211-51-6
5((1benzyl1234tetrahydroquinolin6yl)methylene)13diphenyl2thioxodihydropyrimidine46(1H5H)dione
5((1benzyl1234tetrahydroquinolin6yl)methylidene)13diphenyl2thioxodihydropyrimidine46(1H5H)dione
5((1BENZYL34DIHYDRO2HQUINOLIN6YL)METHYLIDENE)13DIPHENYL2SULFANYLIDENE13DIAZINANE46DIONE
841211516
C1CC2=C(C=CC(=C2)C=C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)N(C1)CC6=CC=CC=C6
InChI=1SC33H27N3O2Sc373129(222518193026(2125)13102034(30)2324114151224)32(38)36(28168391728)33(39)35(31)27146271527h19111214192122H10132023H2
MFCD04012052
O=C1C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)N(C(=S)N1c1ccccc1)c1ccccc1
ZINC000002397327
ZINC2397327

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Available files

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