Vitas-M small molecule compound
2-(morpholin-4-yl)-5-nitro-N-{[2-(3-phenylquinolin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
Catalog ID
STK892576
SMILES S=C(NC(=O)c1cc(ccc1N1CCOCC1)[N+](=O)[O-])Nc1ccc2c(c1)nc(o2)c1c(cnc2c1cccc2)c1ccccc1
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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 C34H26N6O5S MW 630.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H26N6O5S/c41-32(25-19-23(40(42)43)11-12-29(25)39-14-16-44-17-15-39)38-34(46)36-22-10-13-30-28(18-22)37-33(45-30)31-24-8-4-5-9-27(24)35-20-26(31)21-6-2-1-3-7-21/h1-13,18-20H,14-17H2,(H2,36,38,41,46)InChIKey
HRLAVGSOOVDMIL-UHFFFAOYSA-NSynonyms
2(morpholin4yl)5nitroN((2(3phenylquinolin4yl)13benzoxazol5yl)carbamothioyl)benzamide
2morpholin4yl5nitroN((2(3phenylquinolin4yl)13benzoxazol5yl)carbamothioyl)benzamide
C1COCCN1C2=C(C=C(C=C2)(N+)(=O)(O))C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=NC6=CC=CC=C65)C7=CC=CC=C7
InChI=1SC34H26N6O5Sc4132(251923(40(42)43)111229(25)39141644171539)3834(46)362210133028(1822)3733(4530)3124845927(24)352026(31)216213721h1131820H1417H2(H236384146)
MFCD07174608
S=C(NC(=O)c1cc(ccc1N1CCOCC1)(N+)(=O)(O))Nc1ccc2c(c1)nc(o2)c1c(cnc2c1cccc2)c1ccccc1
ZINC000097949020
ZINC97949020
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