Vitas-M small molecule compound

2-({5-[(2,5-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

Catalog ID
STK401118
SMILES Cc1ccc(cc1OCc1nnc(n1CC=C)SCC(=O)N)C

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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 C16H20N4O2S MW 332.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O2S/c1-4-7-20-15(18-19-16(20)23-10-14(17)21)9-22-13-8-11(2)5-6-12(13)3/h4-6,8H,1,7,9-10H2,2-3H3,(H2,17,21)
InChIKey
KOSMLJVBWPTHPW-UHFFFAOYSA-N
Synonyms

2((5((25dimethylphenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetamide
2((5((25DIMETHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
2(5((25DIMETHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YLTHIO)ACETAMIDE
CC1=CC(=C(C=C1)C)OCC2=NN=C(N2CC=C)SCC(=O)N
InChI=1SC16H20N4O2Sc1472015(181916(20)231014(17)21)92213811(2)5612(13)3h468H17910H223H3(H21721)
MFCD06119219
ZINC000006727074
ZINC06727074
ZINC6727074

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Available files

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