Vitas-M small molecule compound
(3Z)-3-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxypent-3-en-2-one hydrochloride
Catalog ID
STL281805
SMILES C/C(=C(\C(=O)C)/Sc1nc2c([nH]1)cccc2)/O.Cl
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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 C12H13ClN2O2S MW 284.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N2O2S.ClH/c1-7(15)11(8(2)16)17-12-13-9-5-3-4-6-10(9)14-12;/h3-6,15H,1-2H3,(H,13,14);1H/b11-7-;InChIKey
XKQDRVQVFMXTIO-AJULUCINSA-NSynonyms
(3Z)3(1Hbenzimidazol2ylsulfanyl)4hydroxypent3en2onehydrochloride
(Z)3(1Hbenzimidazol2ylsulfanyl)4hydroxypent3en2onehydrochloride
CC(=C(C(=O)C)SC1=NC2=CC=CC=C2N1)OCl
CC(=C(C(=O)C)Sc1nc2c((nH)1)cccc2)OCl
InChI=1SC12H12N2O2SClHc17(15)11(8(2)16)1712139534610(9)1412h3615H12H3(H1314)1Hb117
MFCD00729386
ZINC000101152846
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