Vitas-M small molecule compound
4-bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 2-nitrobenzoate
Catalog ID
STK079673
SMILES Brc1ccc(c(c1)C(=S)N1CCCC1)OC(=O)c1ccccc1[N+](=O)[O-]
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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 C18H15BrN2O4S MW 435.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrN2O4S/c19-12-7-8-16(14(11-12)17(26)20-9-3-4-10-20)25-18(22)13-5-1-2-6-15(13)21(23)24/h1-2,5-8,11H,3-4,9-10H2InChIKey
YQFOWYOWNMLHFB-UHFFFAOYSA-NSynonyms
(4BROMO2(PYRROLIDINE1CARBOTHIOYL)PHENYL)2NITROBENZOATE
4BROMO2(PYRROLIDIN1YLCARBONOTHIOYL)PHENYL2NITROBENZOATE
4BROMO2(PYRROLIDIN1YLCARBOTHIOYL)PHENYL2NITROBENZOATE
Brc1ccc(c(c1)C(=S)N1CCCC1)OC(=O)c1ccccc1(N+)(=O)(O)
C1CCN(C1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3(N+)(=O)(O)
InChI=1SC18H15BrN2O4Sc19127816(14(1112)17(26)209341020)2518(22)13512615(13)21(23)24h125811H34910H2
MFCD03992613
STK079673
ZINC000001156606
ZINC01156606
ZINC1156606
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