Vitas-M small molecule compound
4-[2,5-dimethyl-3-(morpholin-4-ylcarbonothioyl)-1H-pyrrol-1-yl]phenyl 3-nitrobenzoate
Catalog ID
STK022440
SMILES O=C(c1cccc(c1)[N+](=O)[O-])Oc1ccc(cc1)n1c(C)cc(c1C)C(=S)N1CCOCC1
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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 C24H23N3O5S MW 465.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O5S/c1-16-14-22(23(33)25-10-12-31-13-11-25)17(2)26(16)19-6-8-21(9-7-19)32-24(28)18-4-3-5-20(15-18)27(29)30/h3-9,14-15H,10-13H2,1-2H3InChIKey
WGZIHSQRMSMUMX-UHFFFAOYSA-NSynonyms
(4(25DIMETHYL3(MORPHOLINE4CARBOTHIOYL)PYRROL1YL)PHENYL)3NITROBENZOATE
4(25DIMETHYL3(MORPHOLIN4YLCARBONOTHIOYL)1HPYRROL1YL)PHENYL3NITROBENZOATE
CC1=CC(=C(N1C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C)C(=S)N4CCOCC4
InChI=1SC24H23N3O5Sc1161422(23(33)25101231131125)17(2)26(16)196821(9719)3224(28)1843520(1518)27(29)30h391415H1013H212H3
MFCD02903828
O=C(c1cccc(c1)(N+)(=O)(O))Oc1ccc(cc1)n1c(C)cc(c1C)C(=S)N1CCOCC1
STK022440
ZINC000008986591
ZINC08986591
ZINC8986591
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