Vitas-M small molecule compound
4-bromo-2-(pyrrolidin-1-ylcarbonothioyl)phenyl 3-nitrobenzoate
Catalog ID
STK016877
SMILES Brc1ccc(c(c1)C(=S)N1CCCC1)OC(=O)c1cccc(c1)[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/c19-13-6-7-16(15(11-13)17(26)20-8-1-2-9-20)25-18(22)12-4-3-5-14(10-12)21(23)24/h3-7,10-11H,1-2,8-9H2InChIKey
FZHKVBHAPROUJU-UHFFFAOYSA-NSynonyms
(4BROMO2(PYRROLIDINE1CARBOTHIOYL)PHENYL)3NITROBENZOATE
4BROMO2(PYRROLIDIN1YLCARBONOTHIOYL)PHENYL3NITROBENZOATE
4BROMO2(PYRROLIDIN1YLCARBOTHIOYL)PHENYL3NITROBENZOATE
Brc1ccc(c(c1)C(=S)N1CCCC1)OC(=O)c1cccc(c1)(N+)(=O)(O)
C1CCN(C1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC18H15BrN2O4Sc19136716(15(1113)17(26)20812920)2518(22)1243514(1012)21(23)24h371011H1289H2
MFCD03707415
STK016877
ZINC000001156320
ZINC01156320
ZINC1156320
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