Vitas-M small molecule compound

(2E)-1-[2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazol-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Catalog ID
STK807072
SMILES C=CCSc1nc2c(n1C(=O)/C=C/c1cc(OC)c(c(c1)OC)OC)cccc2

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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 C22H22N2O4S MW 410.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4S/c1-5-12-29-22-23-16-8-6-7-9-17(16)24(22)20(25)11-10-15-13-18(26-2)21(28-4)19(14-15)27-3/h5-11,13-14H,1,12H2,2-4H3/b11-10+
InChIKey
JMBYFKBGOMJGFM-ZHACJKMWSA-N
Synonyms

(2E)1(2(prop2en1ylsulfanyl)1Hbenzimidazol1yl)3(345trimethoxyphenyl)prop2en1one
(2E)1(2PROP2ENYLTHIOBENZIMIDAZOLYL)3(345TRIMETHOXYPHENYL)PROP2EN1ONE
(E)1(2(ALLYLTHIO)BENZIMIDAZOL1YL)3(345TRIMETHOXYPHENYL)PROP2EN1ONE
(E)1(2(PROP2ENYLTHIO)1BENZIMIDAZOLYL)3(345TRIMETHOXYPHENYL)2PROPEN1ONE
(E)1(2PROP2ENYLSULFANYLBENZIMIDAZOL1YL)3(345TRIMETHOXYPHENYL)PROP2EN1ONE
2(ALLYLTHIO)1(3(345TRIMETHOXYPHENYL)ACRYLOYL)1HBENZIMIDAZOLE
C=CCSc1nc2c(n1C(=O)C=Cc1cc(OC)c(c(c1)OC)OC)cccc2
COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2C3=CC=CC=C3N=C2SCC=C
InChI=1SC22H22N2O4Sc151229222316867917(16)24(22)20(25)1110151318(262)21(284)19(1415)273h5111314H112H224H3b1110+
MFCD03621167
ZINC000004264145
ZINC04264145
ZINC4264145

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Available files

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