Vitas-M small molecule compound
3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]propyl 1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
Catalog ID
STL287256
SMILES O=C(C1CC(=O)N(C1)c1cccc(c1)[N+](=O)[O-])OCCCNC1=NS(=O)(=O)c2c1cccc2
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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 C21H20N4O7S MW 472.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O7S/c26-19-11-14(13-24(19)15-5-3-6-16(12-15)25(28)29)21(27)32-10-4-9-22-20-17-7-1-2-8-18(17)33(30,31)23-20/h1-3,5-8,12,14H,4,9-11,13H2,(H,22,23)InChIKey
XQBRVOGVTCYTLK-UHFFFAOYSA-NSynonyms
3((11dioxido12benzothiazol3yl)amino)propyl1(3nitrophenyl)5oxopyrrolidine3carboxylate
3((11dioxo12benzothiazol3yl)amino)propyl1(3nitrophenyl)5oxopyrrolidine3carboxylate
C1C(CN(C1=O)C2=CC(=CC=C2)(N+)(=O)(O))C(=O)OCCCNC3=NS(=O)(=O)C4=CC=CC=C43
InChI=1SC21H20N4O7Sc26191114(1324(19)1553616(1215)25(28)29)21(27)321049222017712818(17)33(3031)2320h13581214H491113H2(H2223)
MFCD02039703
O=C(C1CC(=O)N(C1)c1cccc(c1)(N+)(=O)(O))OCCCNC1=NS(=O)(=O)c2c1cccc2
ZINC000059453809
ZINC000059453812
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