Vitas-M small molecule compound
6-oxo-1,3-diphenyl-5-(1,2,3,4-tetrahydroisoquinolinium-1-ylacetyl)-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STL345519
SMILES O=C(c1c([O-])n(c2ccccc2)c(=S)n(c1=O)c1ccccc1)CC1[NH2+]CCc2c1cccc2
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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 C27H23N3O3S MW 469.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O3S/c31-23(17-22-21-14-8-7-9-18(21)15-16-28-22)24-25(32)29(19-10-3-1-4-11-19)27(34)30(26(24)33)20-12-5-2-6-13-20/h1-14,22,28,32H,15-17H2InChIKey
BFGUDLOCNISPQP-UHFFFAOYSA-NSynonyms
6oxo13diphenyl2sulfanylidene5(2(1234tetrahydroisoquinolin2ium1yl)acetyl)pyrimidin4olate
6oxo13diphenyl5(1234tetrahydroisoquinolinium1ylacetyl)2thioxo1236tetrahydropyrimidin4olate
6oxo13diphenyl5(2(1234tetrahydroisoquinolin2ium1yl)acetyl)2thioxo1236tetrahydropyrimidin4olate
C1C(NH2+)C(C2=CC=CC=C21)CC(=O)C3=C(N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)(O)
InChI=1SC27H23N3O3Sc3123(1722211487918(21)15162822)2425(32)29(19103141119)27(34)30(26(24)33)20125261320h114222832H1517H2
MFCD28032177
O=C(c1c((O))n(c2ccccc2)c(=S)n(c1=O)c1ccccc1)CC1(NH2+)CCc2c1cccc2
ZINC000002424151
ZINC000002424152
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