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]-6-nitrophenyl propanoate

Catalog ID
STK522171
SMILES CCC(=O)Oc1c(OC)cc(cc1[N+](=O)[O-])C1Oc2nc(SC)nnc2c2c(N1C(=O)CC)cccc2

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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/c1-5-18(30)28-15-10-8-7-9-14(15)20-22(25-24(37-4)27-26-20)36-23(28)13-11-16(29(32)33)21(17(12-13)34-3)35-19(31)6-2/h7-12,23H,5-6H2,1-4H3
InChIKey
UOXBYAVTAGSIHQ-UHFFFAOYSA-N
Synonyms

(2METHOXY4(3METHYLSULFANYL7PROPANOYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)6NITROPHENYL)PROPANOATE
2methoxy4(3(methylsulfanyl)7propanoyl67dihydro(124)triazino(56d)(31)benzoxazepin6yl)6nitrophenylpropanoate
2NITRO6METHOXY4(3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLPROPIONATE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C(=C4)OC)OC(=O)CC)(N+)(=O)(O)
CCC(=O)Oc1c(OC)cc(cc1(N+)(=O)(O))C1Oc2nc(SC)nnc2c2c(N1C(=O)CC)cccc2
InChI=1SC24H23N5O7Sc1518(30)28151087914(15)2022(2524(374)272620)3623(28)131116(29(32)33)21(17(1213)343)3519(31)62h71223H56H214H3
MFCD02952066
ZINC000008396432
ZINC000008396437

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Available files

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