Vitas-M small molecule compound
ethyl 4-{[4-methyl-3-(phenoxymethyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
Catalog ID
STK733965
SMILES CCOC(=O)N1CCN(CC1)Cn1nc(n(c1=S)C)COc1ccccc1
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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 C18H25N5O3S MW 391.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N5O3S/c1-3-25-18(24)22-11-9-21(10-12-22)14-23-17(27)20(2)16(19-23)13-26-15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3InChIKey
JARVENCPUGHMGA-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3)C
ETHYL4((4METHYL3(PHENOXYMETHYL)5SULFANYLIDENE124TRIAZOL1YL)METHYL)PIPERAZINE1CARBOXYLATE
ethyl4((4methyl3(phenoxymethyl)5thioxo45dihydro1H124triazol1yl)methyl)piperazine1carboxylate
InChI=1SC18H25N5O3Sc132518(24)2211921(101222)142317(27)20(2)16(1923)1326157546815h48H3914H212H3
MFCD01304975
ZINC000019818424
ZINC19818424
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