Vitas-M small molecule compound
4-bromo-2-(morpholin-4-ylcarbonothioyl)phenyl 3-nitrobenzoate
Catalog ID
STL383906
SMILES Brc1ccc(c(c1)C(=S)N1CCOCC1)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 C18H15BrN2O5S MW 451.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrN2O5S/c19-13-4-5-16(15(11-13)17(27)20-6-8-25-9-7-20)26-18(22)12-2-1-3-14(10-12)21(23)24/h1-5,10-11H,6-9H2InChIKey
JTHICNYLOODTLV-UHFFFAOYSA-NSynonyms
(4BROMO2(MORPHOLINE4CARBOTHIOYL)PHENYL)3NITROBENZOATE
3NITROBENZOICACID4BROMO2(MORPHOLINE4CARBOTHIOYL)PHENYLESTER
4bromo2(morpholin4ylcarbonothioyl)phenyl3nitrobenzoate
4BROMO2(MORPHOLIN4YLTHIOXOMETHYL)PHENYL3NITROBENZOATE
Brc1ccc(c(c1)C(=S)N1CCOCC1)OC(=O)c1cccc(c1)(N+)(=O)(O)
C1COCCN1C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC18H15BrN2O5Sc19134516(15(1113)17(27)2068259720)2618(22)1221314(1012)21(23)24h151011H69H2
MFCD01062457
ZINC000008989851
ZINC08989851
ZINC8989851
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