Vitas-M small molecule compound
[1-(4-methylphenyl)-3-(prop-2-en-1-ylsulfanyl)pyrimido[1,6-a]benzimidazol-4-yl](triphenyl)phosphonium
Catalog ID
STL043273
SMILES C=CCSc1nc(c2ccc(cc2)C)n2c(c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)nc1c2cccc1
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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 C38H31N3PS MW 592.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H31N3PS/c1-3-27-43-38-35(37-39-33-21-13-14-22-34(33)41(37)36(40-38)29-25-23-28(2)24-26-29)42(30-15-7-4-8-16-30,31-17-9-5-10-18-31)32-19-11-6-12-20-32/h3-26H,1,27H2,2H3/q+1InChIKey
DDFDMEKDXCXYMR-UHFFFAOYSA-NSynonyms
(1(4methylphenyl)3(prop2en1ylsulfanyl)pyrimido(16a)benzimidazol4yl)(triphenyl)phosphonium
(1(4METHYLPHENYL)3PROP2ENYLSULFANYLPYRIMIDO(16A)BENZIMIDAZOL4YL)TRIPHENYLPHOSPHANIUM
(3(allylthio)1(ptolyl)benzo(45)imidazo(12c)pyrimidin4yl)triphenylphosphoniumbromide
C=CCSc1nc(c2ccc(cc2)C)n2c(c1(P+)(c1ccccc1)(c1ccccc1)c1ccccc1)nc1c2cccc1
C=CCSc1nc(c2ccc(cc2)C)n2c(c1(P+)(c1ccccc1)(c1ccccc1)c1ccccc1)nc1c2cccc1(Br)
CC1=CC=C(C=C1)C2=NC(=C(C3=NC4=CC=CC=C4N23)(P+)(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)SCC=C
InChI=1SC38H31N3PSc1327433835(3739332113142234(33)41(37)36(4038)29252328(2)242629)42(30157481630311795101831)3219116122032h326H127H22H3q+1
ZINC000101322586
ZINC101322586
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