Vitas-M small molecule compound
1-(3,5-dimethylpiperidin-1-yl)-2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STL364955
SMILES C=CCn1c(SCC(=O)N2CC(C)CC(C2)C)nnc1c1ccc(cc1)OC
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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 C21H28N4O2S MW 400.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O2S/c1-5-10-25-20(17-6-8-18(27-4)9-7-17)22-23-21(25)28-14-19(26)24-12-15(2)11-16(3)13-24/h5-9,15-16H,1,10-14H2,2-4H3InChIKey
MZJSKVUFOZXAPD-UHFFFAOYSA-NSynonyms
1(35dimethylpiperidin1yl)2((5(4methoxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)ethanone
1(35dimethylpiperidin1yl)2((5(4methoxyphenyl)4prop2enyl124triazol3yl)sulfanyl)ethanone
CC1CC(CN(C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC)C
InChI=1SC21H28N4O2Sc15102520(176818(274)9717)222321(25)281419(26)241215(2)1116(3)1324h591516H11014H224H3
MFCD07248077
ZINC000005208998
ZINC000018068191
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