Vitas-M small molecule compound
{4-[(cyanomethyl)sulfanyl]-6-oxo-2-phenyl-1,6-dihydropyrimidin-5-yl}(triphenyl)phosphonium
Catalog ID
STL058933
SMILES N#CCSc1nc([nH]c(=O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)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 C30H23N3OPS MW 504.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22N3OPS/c31-21-22-36-30-27(29(34)32-28(33-30)23-13-5-1-6-14-23)35(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,22H2/p+1InChIKey
IILROJRPGMCYEF-UHFFFAOYSA-OSynonyms
(4((cyanomethyl)sulfanyl)6oxo2phenyl16dihydropyrimidin5yl)(triphenyl)phosphonium
(4((cyanomethyl)thio)6oxo2phenyl16dihydropyrimidin5yl)triphenylphosphoniumiodide
(4(CYANOMETHYLSULFANYL)6OXO2PHENYL1HPYRIMIDIN5YL)TRIPHENYLPHOSPHANIUM
C1=CC=C(C=C1)C2=NC(=C(C(=O)N2)(P+)(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SCC#N
InChI=1SC30H22N3OPSc312122363027(29(34)3228(3330)23135161423)35(24157281624251793101825)2619114122026h120H22H2p+1
N#CCSc1nc((nH)c(=O)c1(P+)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
N#CCSc1nc((nH)c(=O)c1(P+)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1(I)
ZINC000334157023
ZINC96022913
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