Vitas-M small molecule compound

5-(1H-indol-3-ylmethylidene)-1,3-bis(2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STL327332
SMILES O=C1/C(=C/c2c[nH]c3c2cccc3)/C(=O)N(C(=S)N1c1ccccc1C)c1ccccc1C

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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 C27H21N3O2S MW 451.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O2S/c1-17-9-3-7-13-23(17)29-25(31)21(15-19-16-28-22-12-6-5-11-20(19)22)26(32)30(27(29)33)24-14-8-4-10-18(24)2/h3-16,28H,1-2H3
InChIKey
YIJCAGLGSVDTMZ-UHFFFAOYSA-N
Synonyms

13BIS(2METHYLPHENYL)2THIOXO5(1HINDOLE3YLMETHYLENE)HEXAHYDROPYRIMIDINE46DIONE
5((1Hindol3yl)methylene)2thioxo13diotolyldihydropyrimidine46(1H5H)dione
5(1HINDOL3YLMETHYLENE)2THIOXO13DIOTOLYLDIHYDROPYRIMIDINE46DIONE
5(1HINDOL3YLMETHYLIDENE)13BIS(2METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
5(1Hindol3ylmethylidene)13bis(2methylphenyl)2thioxodihydropyrimidine46(1H5H)dione
CC1=CC=CC=C1N2C(=O)C(=CC3=CNC4=CC=CC=C43)C(=O)N(C2=S)C5=CC=CC=C5C
InChI=1SC27H21N3O2Sc1179371323(17)2925(31)21(151916282212651120(19)22)26(32)30(27(29)33)2414841018(24)2h31628H12H3
MFCD00576254
O=C1C(=Cc2c(nH)c3c2cccc3)C(=O)N(C(=S)N1c1ccccc1C)c1ccccc1C
ZINC000001225749
ZINC01225749
ZINC1225749

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.