Vitas-M small molecule compound
2-ethoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-nitrophenol
Catalog ID
STK979967
SMILES CCOc1c(O)ccc(c1[N+](=O)[O-])C1Nc2ccccc2c2c(O1)nc(SC)nn2
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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 C19H17N5O5S MW 427.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N5O5S/c1-3-28-16-13(25)9-8-11(15(16)24(26)27)17-20-12-7-5-4-6-10(12)14-18(29-17)21-19(30-2)23-22-14/h4-9,17,20,25H,3H2,1-2H3InChIKey
OHVQIOCIJLSKJN-UHFFFAOYSA-NSynonyms
677023-21-12ethoxy4(3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)3nitrophenol
2ethoxy4(3methylsulfanyl67dihydro(124)triazino(56d)(31)benzoxazepin6yl)3nitrophenol
677023211
CCOC1=C(C=CC(=C1(N+)(=O)(O))C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)O
CCOc1c(O)ccc(c1(N+)(=O)(O))C1Nc2ccccc2c2c(O1)nc(SC)nn2
InChI=1SC19H17N5O5Sc13281613(25)9811(15(16)24(26)27)172012754610(12)1418(2917)2119(302)232214h49172025H3H212H3
MFCD01919864
ZINC000002744400
ZINC000002744401
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