Vitas-M small molecule compound

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

Catalog ID
STL418697
SMILES O=C1/C(=C/c2c(C)[nH]c3c2cccc3)/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 C26H19N3O2S MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N3O2S/c1-17-21(20-14-8-9-15-23(20)27-17)16-22-24(30)28(18-10-4-2-5-11-18)26(32)29(25(22)31)19-12-6-3-7-13-19/h2-16,27H,1H3
InChIKey
XYQYBSLPKZQYCI-UHFFFAOYSA-N
Synonyms

5((2METHYL1HINDOL3YL)METHYLIDENE)13DIPHENYL2SULFANYLIDENE13DIAZINANE46DIONE
5((2methyl1Hindol3yl)methylidene)13diphenyl2thioxodihydropyrimidine46(1H5H)dione
5((2METHYLINDOL3YL)METHYLENE)13DIPHENYL2THIOXO13DIHYDROPYRIMIDINE46DIONE
CC1=C(C2=CC=CC=C2N1)C=C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC26H19N3O2Sc11721(2014891523(20)2717)162224(30)28(18104251118)26(32)29(25(22)31)19126371319h21627H1H3
MFCD00645446
O=C1C(=Cc2c(C)(nH)c3c2cccc3)C(=O)N(C(=S)N1c1ccccc1)c1ccccc1
ZINC000000864735
ZINC00864735
ZINC864735

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Available files

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