Vitas-M small molecule compound

2-[3-(butylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-chloro-6-methoxyphenyl propanoate

Catalog ID
STK521568
SMILES CCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)CC)c1cc(Cl)cc(c1OC(=O)CC)OC

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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 C27H29ClN4O5S MW 557.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN4O5S/c1-5-8-13-38-27-29-25-23(30-31-27)17-11-9-10-12-19(17)32(21(33)6-2)26(37-25)18-14-16(28)15-20(35-4)24(18)36-22(34)7-3/h9-12,14-15,26H,5-8,13H2,1-4H3
InChIKey
RFSCGPSFANUWPO-UHFFFAOYSA-N
Synonyms

(2(3BUTYLSULFANYL7PROPANOYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)4CHLORO6METHOXYPHENYL)PROPANOATE
2(3(butylsulfanyl)7propanoyl67dihydro(124)triazino(56d)(31)benzoxazepin6yl)4chloro6methoxyphenylpropanoate
2(3(BUTYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)4CHLORO6METHOXYPHENYLPROPIONATE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=CC(=C4OC(=O)CC)OC)Cl)C(=O)CC)N=N1
InChI=1SC27H29ClN4O5Sc158133827292523(303127)17119101219(17)32(21(33)62)26(3725)181416(28)1520(354)24(18)3622(34)73h912141526H5813H214H3
MFCD03698544
ZINC000002114284
ZINC000002114286

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Available files

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