Vitas-M small molecule compound
methyl N-({4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}carbonothioyl)-L-methioninate
Catalog ID
STK638008
SMILES COC(=O)[C@@H](NC(=S)N1CCN(CC1)CCc1ccncc1)CCSC
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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 C18H28N4O2S2 MW 396.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H28N4O2S2/c1-24-17(23)16(6-14-26-2)20-18(25)22-12-10-21(11-13-22)9-5-15-3-7-19-8-4-15/h3-4,7-8,16H,5-6,9-14H2,1-2H3,(H,20,25)/t16-/m0/s1InChIKey
IRYJHTIRJREQGQ-INIZCTEOSA-NSynonyms
1013836-62-8(S)methyl4(methylthio)2(4(2(pyridin4yl)ethyl)piperazine1carbothioamido)butanoate
1013836628
COC(=O)(C@@H)(NC(=S)N1CCN(CC1)CCc1ccncc1)CCSC
COC(=O)C(CCSC)NC(=S)N1CCN(CC1)CCC2=CC=NC=C2
InChI=1SC18H28N4O2S2c12417(23)16(614262)2018(25)22121021(111322)951537198415h347816H56914H212H3(H2025)t16m0s1
methyl(2S)4methylsulfanyl2((4(2pyridin4ylethyl)piperazine1carbothioyl)amino)butanoate
methylN((4(2(pyridin4yl)ethyl)piperazin1yl)carbonothioyl)Lmethioninate
MFCD09856425
ZINC000013726393
ZINC13726393
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