Vitas-M small molecule compound
3-hydroxy-1-(2-methoxyphenyl)-3-(thiophen-2-yl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Catalog ID
STL265825
SMILES COc1ccccc1[N+]1=C2CCCCCN2C(C1)(O)c1cccs1
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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 C19H23N2O2S MW 343.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N2O2S/c1-23-16-9-5-4-8-15(16)20-14-19(22,17-10-7-13-24-17)21-12-6-2-3-11-18(20)21/h4-5,7-10,13,22H,2-3,6,11-12,14H2,1H3/q+1InChIKey
FRELFPFZIJEWQY-UHFFFAOYSA-NSynonyms
1(2methoxyphenyl)3thiophen2yl256789hexahydroimidazo(12a)azepin4ium3ol
3hydroxy1(2methoxyphenyl)3(thiophen2yl)256789hexahydro3Himidazo(12a)azepin1ium
COC1=CC=CC=C1N2CC((N+)3=C2CCCCC3)(C4=CC=CS4)O
COc1ccccc1(N+)1=C2CCCCCN2C(C1)(O)c1cccs1
InChI=1SC19H23N2O2Sc12316954815(16)201419(2217107132417)21126231118(20)21h457101322H236111214H21H3q+1
MFCD02935951
ZINC000002974507
ZINC000002974509
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