Vitas-M small molecule compound

N-{[3-chloro-4-(pyrrolidin-1-yl)phenyl]carbamothioyl}-2-methoxybenzamide

Catalog ID
STK035599
SMILES COc1ccccc1C(=O)NC(=S)Nc1ccc(c(c1)Cl)N1CCCC1

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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 C19H20ClN3O2S MW 389.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20ClN3O2S/c1-25-17-7-3-2-6-14(17)18(24)22-19(26)21-13-8-9-16(15(20)12-13)23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11H2,1H3,(H2,21,22,24,26)
InChIKey
HNSIDLXOMFJBIF-UHFFFAOYSA-N
Synonyms

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl
COc1ccccc1C(=O)NC(=S)Nc1ccc(c(c1)Cl)N1CCCC1
InChI=1SC19H20ClN3O2Sc12517732614(17)18(24)2219(26)21138916(15(20)1213)2310451123h236912H451011H21H3(H221222426)
MFCD03079343
N((3CHLORO4(PYRROLIDIN1YL)PHENYL)CARBAMOTHIOYL)2METHOXYBENZAMIDE
N((3CHLORO4PYRROLIDIN1YLPHENYL)CARBAMOTHIOYL)2METHOXYBENZAMIDE
STK035599
ZINC000001093215
ZINC01093215
ZINC1093215

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.