Vitas-M small molecule compound
6-hydroxy-1,3-bis(2-methylphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-ylacetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Catalog ID
STK713209
SMILES Cc1ccccc1n1c(O)c(C(=O)CC2NCCc3c2cccc3)c(=O)n(c1=S)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 C29H27N3O3S MW 497.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O3S/c1-18-9-3-7-13-23(18)31-27(34)26(28(35)32(29(31)36)24-14-8-4-10-19(24)2)25(33)17-22-21-12-6-5-11-20(21)15-16-30-22/h3-14,22,30,34H,15-17H2,1-2H3InChIKey
WEBVAECXIFSVFJ-UHFFFAOYSA-NSynonyms
586990-25-213bis(2methylphenyl)6oxo2sulfanylidene5(2(1234tetrahydroisoquinolin2ium1yl)acetyl)pyrimidin4olate
586990252
6hydroxy13bis(2methylphenyl)5(1234tetrahydroisoquinolin1ylacetyl)2thioxo23dihydropyrimidin4(1H)one
6hydroxy5(2(1234tetrahydroisoquinolin1yl)acetyl)2thioxo13diotolyl23dihydropyrimidin4(1H)one
CC1=CC=CC=C1N2C(=C(C(=O)N(C2=S)C3=CC=CC=C3C)C(=O)CC4C5=CC=CC=C5CC(NH2+)4)(O)
InChI=1SC29H27N3O3Sc1189371323(18)3127(34)26(28(35)32(29(31)36)2414841019(24)2)25(33)17222112651120(21)15163022h314223034H1517H212H3
MFCD04032950
ZINC000001263608
ZINC000020332666
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