Vitas-M small molecule compound
1-[3-(methylsulfanyl)-6-[5-(4-nitrophenyl)furan-2-yl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509375
SMILES CSc1nnc2c(n1)OC(c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])N(c1c2cccc1)C(=O)C
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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 C23H17N5O5S MW 475.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N5O5S/c1-13(29)27-17-6-4-3-5-16(17)20-21(24-23(34-2)26-25-20)33-22(27)19-12-11-18(32-19)14-7-9-15(10-8-14)28(30)31/h3-12,22H,1-2H3InChIKey
MQPNOPZVOCSNRD-UHFFFAOYSA-NSynonyms
1(3(methylsulfanyl)6(5(4nitrophenyl)furan2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3METHYLSULFANYL6(5(4NITROPHENYL)FURAN2YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(O4)C5=CC=C(C=C5)(N+)(=O)(O)
CSc1nnc2c(n1)OC(c1ccc(o1)c1ccc(cc1)(N+)(=O)(O))N(c1c2cccc1)C(=O)C
InChI=1SC23H17N5O5Sc113(29)2717643516(17)2021(2423(342)262520)3322(27)19121118(3219)147915(10814)28(30)31h31222H12H3
MFCD02376414
ZINC000015016390
ZINC000015016391
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