Vitas-M small molecule compound
3-({[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-[(4-tert-butylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK465631
SMILES C=CCn1c(nnc1COc1ccc(cc1)C(C)(C)C)SCc1csc(n1)c1ccc2c(c1)OCO2
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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 C27H28N4O3S2 MW 520.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3S2/c1-5-12-31-24(14-32-21-9-7-19(8-10-21)27(2,3)4)29-30-26(31)36-16-20-15-35-25(28-20)18-6-11-22-23(13-18)34-17-33-22/h5-11,13,15H,1,12,14,16-17H2,2-4H3InChIKey
NPIQDWHLXBXTDD-UHFFFAOYSA-NSynonyms
1((5((2(2HBENZO(34D)13DIOXOLAN5YL)(13THIAZOL4YL))METHYLTHIO)4PROP2ENYL(124TRIAZOL3YL))METHOXY)4(TERTBUTYL)BENZENE
2(13benzodioxol5yl)4((5((4tertbutylphenoxy)methyl)4prop2enyl124triazol3yl)sulfanylmethyl)13thiazole
3(((2(13benzodioxol5yl)13thiazol4yl)methyl)sulfanyl)5((4tertbutylphenoxy)methyl)4(prop2en1yl)4H124triazole
CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=CSC(=N3)C4=CC5=C(C=C4)OCO5
InChI=1SC27H28N4O3S2c15123124(1432219719(81021)27(23)4)293026(31)361620153525(2820)186112223(1318)34173322h5111315H112141617H224H3
MFCD06758729
ZINC000020468198
ZINC20468198
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