Vitas-M small molecule compound
4-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]-2,6-diphenylthiopyranium
Catalog ID
STL337838
SMILES c1ccc(cc1)C1CC(=NN1c1ccc(cc1)c1cc([s+]c(c1)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 C38H29N2S MW 545.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H29N2S/c1-5-13-29(14-6-1)35-27-36(30-15-7-2-8-16-30)40(39-35)34-23-21-28(22-24-34)33-25-37(31-17-9-3-10-18-31)41-38(26-33)32-19-11-4-12-20-32/h1-26,36H,27H2/q+1InChIKey
DXKHJOKJLZIZJB-UHFFFAOYSA-NSynonyms
2(4(26DIPHENYLTHIOPYRAN4YLIDENE)CYCLOHEXA25DIEN1YLIDENE)35DIPHENYL34DIHYDROPYRAZOL2IUM
4(4(35diphenyl45dihydro1Hpyrazol1yl)phenyl)26diphenylthiopyranium
C1C((N+)(=C2C=CC(=C3C=C(SC(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C=C2)N=C1C6=CC=CC=C6)C7=CC=CC=C7
c1ccc(cc1)C1CC(=NN1c1ccc(cc1)c1cc((s+)c(c1)c1ccccc1)c1ccccc1)c1ccccc1
InChI=1SC38H29N2Sc151329(1461)352736(30157281630)40(3935)34232128(222434)332537(311793101831)4138(2633)3219114122032h12636H27H2q+1
MFCD03680287
ZINC000100984910
ZINC000100984914
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