Vitas-M small molecule compound

3-({[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-[(2-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole

Catalog ID
STK465179
SMILES C=CCn1c(SCc2csc(n2)c2ccc3c(c2)OCO3)nnc1COc1ccccc1Cl

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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 C23H19ClN4O3S2 MW 499.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN4O3S2/c1-2-9-28-21(11-29-18-6-4-3-5-17(18)24)26-27-23(28)33-13-16-12-32-22(25-16)15-7-8-19-20(10-15)31-14-30-19/h2-8,10,12H,1,9,11,13-14H2
InChIKey
GBOPQVOOUXISER-UHFFFAOYSA-N
Synonyms

1((5((2(2HBENZO(34D)13DIOXOLAN5YL)(13THIAZOL4YL))METHYLTHIO)4PROP2ENYL(124TRIAZOL3YL))METHOXY)2CHLOROBENZENE
2(13benzodioxol5yl)4((5((2chlorophenoxy)methyl)4prop2enyl124triazol3yl)sulfanylmethyl)13thiazole
3(((2(13benzodioxol5yl)13thiazol4yl)methyl)sulfanyl)5((2chlorophenoxy)methyl)4(prop2en1yl)4H124triazole
C=CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)COC5=CC=CC=C5Cl
InChI=1SC23H19ClN4O3S2c1292821(112918643517(18)24)262723(28)331316123222(2516)15781920(1015)31143019h281012H19111314H2
MFCD06758343
ZINC000020161325
ZINC20161325

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Available files

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