Vitas-M small molecule compound
2-methoxy-4-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-nitrophenyl propanoate
Catalog ID
STK521160
SMILES CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(c(c1[N+](=O)[O-])OC)OC(=O)CC
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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 C24H23N5O7S MW 525.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N5O7S/c1-5-17(30)28-15-10-8-7-9-13(15)19-22(25-24(37-4)27-26-19)36-23(28)14-11-12-16(35-18(31)6-2)21(34-3)20(14)29(32)33/h7-12,23H,5-6H2,1-4H3InChIKey
ULOVAVLLLQGHMW-UHFFFAOYSA-NSynonyms
(2METHOXY4(3METHYLSULFANYL7PROPANOYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)3NITROPHENYL)PROPANOATE
2methoxy4(3(methylsulfanyl)7propanoyl67dihydro(124)triazino(56d)(31)benzoxazepin6yl)3nitrophenylpropanoate
3NITRO2METHOXY4(3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLPROPIONATE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C(=C(C=C4)OC(=O)CC)OC)(N+)(=O)(O)
CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(c(c1(N+)(=O)(O))OC)OC(=O)CC
InChI=1SC24H23N5O7Sc1517(30)28151087913(15)1922(2524(374)272619)3623(28)14111216(3518(31)62)21(343)20(14)29(32)33h71223H56H214H3
MFCD02952067
ZINC000008396443
ZINC000008396453
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.