Vitas-M small molecule compound

(2Z)-2-({3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one

Catalog ID
STK706529
SMILES C=CCOc1ccc(cc1C)c1nn(cc1/C=c/1\sc2n(c1=O)c1c(n2)cccc1)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 C29H22N4O2S MW 490.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N4O2S/c1-3-15-35-25-14-13-20(16-19(25)2)27-21(18-32(31-27)22-9-5-4-6-10-22)17-26-28(34)33-24-12-8-7-11-23(24)30-29(33)36-26/h3-14,16-18H,1,15H2,2H3/b26-17-
InChIKey
GJTKOBSJEJQQBT-ONUIUJJFSA-N
Synonyms

(2Z)2((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32a)benzimidazol3(2H)one
(2Z)2((3(3METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
(Z)2((3(4(allyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)benzo(45)imidazo(21b)thiazol3(2H)one
C=CCOc1ccc(cc1C)c1nn(cc1C=c1sc2n(c1=O)c1c(n2)cccc1)c1ccccc1
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C5=CC=CC=C5N=C4S3)C6=CC=CC=C6)OCC=C
InChI=1SC29H22N4O2Sc13153525141320(1619(25)2)2721(1832(3127)2295461022)172628(34)332412871123(24)3029(33)3626h3141618H115H22H3b2617
MFCD02989378
ZINC000008900197
ZINC08900197
ZINC8900197

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Available files

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