Vitas-M small molecule compound
5-bromo-2-methoxy-3-methyl-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide
Catalog ID
STK344829
SMILES COc1c(C)cc(cc1C(=O)NC(=S)Nc1cccc(c1C)[N+](=O)[O-])Br
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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 C17H16BrN3O4S MW 438.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrN3O4S/c1-9-7-11(18)8-12(15(9)25-3)16(22)20-17(26)19-13-5-4-6-14(10(13)2)21(23)24/h4-8H,1-3H3,(H2,19,20,22,26)InChIKey
LFBOZUHIDFIBMI-UHFFFAOYSA-NSynonyms
1(5BROMO2METHOXY3METHYLBENZOYL)3(2METHYL3NITROPHENYL)THIOUREA
5bromo2methoxy3methylN((2methyl3nitrophenyl)carbamothioyl)benzamide
CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C(=CC=C2)(N+)(=O)(O))C)OC
COc1c(C)cc(cc1C(=O)NC(=S)Nc1cccc(c1C)(N+)(=O)(O))Br
InChI=1SC17H16BrN3O4Sc19711(18)812(15(9)253)16(22)2017(26)191354614(10(13)2)21(23)24h48H13H3(H219202226)
MFCD05848260
ZINC000001071223
ZINC01071223
ZINC1071223
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