Vitas-M small molecule compound

N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-1-oxo-1H-isothiochromene-3-carboxamide

Catalog ID
STL567694
SMILES CSCC[C@@H](c1nc2c([nH]1)cccc2)NC(=O)c1cc2ccccc2c(=O)s1

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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 C21H19N3O2S2 MW 409.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O2S2/c1-27-11-10-17(19-22-15-8-4-5-9-16(15)23-19)24-20(25)18-12-13-6-2-3-7-14(13)21(26)28-18/h2-9,12,17H,10-11H2,1H3,(H,22,23)(H,24,25)/t17-/m0/s1
InChIKey
HIWTVWQNWMBADK-KRWDZBQOSA-N
Synonyms

(S)N(1(1Hbenzo(d)imidazol2yl)3(methylthio)propyl)1oxo1Hisothiochromene3carboxamide
132285399
CSCC(C@@H)(c1nc2c((nH)1)cccc2)NC(=O)c1cc2ccccc2c(=O)s1
InChI=1SC21H19N3O2S2c127111017(192215845916(15)2319)2420(25)181213623714(13)21(26)2818h291217H1011H21H3(H2223)(H2425)t17m0s1
MFCD32652881
N((1S)1(1Hbenzimidazol2yl)3(methylsulfanyl)propyl)1oxo1Hisothiochromene3carboxamide
N((1S)1(1Hbenzimidazol2yl)3methylsulfanylpropyl)1oxoisothiochromene3carboxamide
ZINC000824912904

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Available files

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