Vitas-M small molecule compound
4-methoxy-3-nitro-N-{[2-(3-phenylquinolin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
Catalog ID
STK892575
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)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 C31H21N5O5S MW 575.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H21N5O5S/c1-40-27-13-11-19(15-25(27)36(38)39)29(37)35-31(42)33-20-12-14-26-24(16-20)34-30(41-26)28-21-9-5-6-10-23(21)32-17-22(28)18-7-3-2-4-8-18/h2-17H,1H3,(H2,33,35,37,42)InChIKey
NSOKDKGWQYDCDM-UHFFFAOYSA-NSynonyms
4methoxy3nitroN((2(3phenylquinolin4yl)13benzoxazol5yl)carbamothioyl)benzamide
COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=NC5=CC=CC=C54)C6=CC=CC=C6)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1c(cnc2c1cccc2)c1ccccc1
InChI=1SC31H21N5O5Sc14027131119(1525(27)36(38)39)29(37)3531(42)332012142624(1620)3430(4126)28219561023(21)321722(28)187324818h217H1H3(H233353742)
MFCD07174607
ZINC000097948498
ZINC97948498
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