Vitas-M small molecule compound
7-[2,4-di(morpholin-4-yl)-5-nitrophenyl]-3-thioxo-8-oxa-2,4-diazabicyclo[4.2.0]oct-1(6)-en-5-one
Catalog ID
STK677268
SMILES [O-][N+](=O)c1cc(c(cc1N1CCOCC1)N1CCOCC1)C1Oc2c1c(=O)[nH]c(=S)[nH]2
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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 C19H21N5O6S MW 447.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O6S/c25-17-15-16(30-18(15)21-19(31)20-17)11-9-14(24(26)27)13(23-3-7-29-8-4-23)10-12(11)22-1-5-28-6-2-22/h9-10,16H,1-8H2,(H2,20,21,25,31)InChIKey
URWSGDPPIZGQRJ-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(c(cc1N1CCOCC1)N1CCOCC1)C1Oc2c1c(=O)(nH)c(=S)(nH)2
7(24di(morpholin4yl)5nitrophenyl)3thioxo8oxa24diazabicyclo(420)oct1(6)en5one
7(24DIMORPHOLIN4YL5NITROPHENYL)3THIOXO8OXA24DIAZABICYCLO(420)OCT1(6)EN5ONE
8(24DIMORPHOLIN4YL5NITROPHENYL)4SULFANYLIDENE7OXA35DIAZABICYCLO(420)OCT1(6)EN2ONE
C1COCCN1C2=CC(=C(C=C2C3C4=C(O3)NC(=S)NC4=O)(N+)(=O)(O))N5CCOCC5
InChI=1SC19H21N5O6Sc25171516(3018(15)2119(31)2017)11914(24(26)27)13(2337298423)1012(11)2215286222h91016H18H2(H220212531)
MFCD02933073
ZINC000013523705
ZINC000013523709
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