Vitas-M small molecule compound
3-bromo-N-{[3-chloro-4-(pyrrolidin-1-yl)phenyl]carbamothioyl}-4-ethoxybenzamide
Catalog ID
STK096205
SMILES CCOc1ccc(cc1Br)C(=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 C20H21BrClN3O2S MW 482.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrClN3O2S/c1-2-27-18-8-5-13(11-15(18)21)19(26)24-20(28)23-14-6-7-17(16(22)12-14)25-9-3-4-10-25/h5-8,11-12H,2-4,9-10H2,1H3,(H2,23,24,26,28)InChIKey
OBQGGPIDIABWLD-UHFFFAOYSA-NSynonyms
3BROMON((3CHLORO4(PYRROLIDIN1YL)PHENYL)CARBAMOTHIOYL)4ETHOXYBENZAMIDE
3BROMON((3CHLORO4PYRROLIDIN1YLPHENYL)CARBAMOTHIOYL)4ETHOXYBENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl)Br
CCOc1ccc(cc1Br)C(=O)NC(=S)Nc1ccc(c(c1)Cl)N1CCCC1
InChI=1SC20H21BrClN3O2Sc1227188513(1115(18)21)19(26)2420(28)23146717(16(22)1214)259341025h581112H24910H21H3(H223242628)
MFCD03079345
STK096205
ZINC000002984479
ZINC02984479
ZINC2984479
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