Vitas-M small molecule compound
5-bromo-2-methoxy-3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide
Catalog ID
STK336688
SMILES COc1c(C)cc(cc1C(=O)NC(=S)Nc1ccc(cc1)[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 C16H14BrN3O4S MW 424.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrN3O4S/c1-9-7-10(17)8-13(14(9)24-2)15(21)19-16(25)18-11-3-5-12(6-4-11)20(22)23/h3-8H,1-2H3,(H2,18,19,21,25)InChIKey
RDBPBGZUPWSTMM-UHFFFAOYSA-NSynonyms
1(5BROMO2METHOXY3METHYLBENZOYL)3(4NITROPHENYL)THIOUREA
5bromo2methoxy3methylN((4nitrophenyl)carbamothioyl)benzamide
CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)(N+)(=O)(O))OC
COc1c(C)cc(cc1C(=O)NC(=S)Nc1ccc(cc1)(N+)(=O)(O))Br
InChI=1SC16H14BrN3O4Sc19710(17)813(14(9)242)15(21)1916(25)18113512(6411)20(22)23h38H12H3(H218192125)
MFCD05848264
ZINC000012843072
ZINC12843072
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