Vitas-M small molecule compound

3-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chlorophenyl acetate

Catalog ID
STK980116
SMILES CCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cccc(c1Cl)OC(=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 C24H23ClN4O4S MW 498.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23ClN4O4S/c1-4-5-13-34-24-26-22-21(27-28-24)16-9-6-7-11-18(16)29(14(2)30)23(33-22)17-10-8-12-19(20(17)25)32-15(3)31/h6-12,23H,4-5,13H2,1-3H3
InChIKey
BMZNOEQYDSPIBH-UHFFFAOYSA-N
Synonyms

(3(7acetyl3butylsulfanyl6H(124)triazino(56d)(31)benzoxazepin6yl)2chlorophenyl)acetate
3(7acetyl3(butylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)2chlorophenylacetate
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C(=CC=C4)OC(=O)C)Cl)C(=O)C)N=N1
InChI=1SC24H23ClN4O4Sc145133424262221(272824)169671118(16)29(14(2)30)23(3322)171081219(20(17)25)3215(3)31h61223H4513H213H3
MFCD04230768
ZINC000015016137
ZINC000015016138

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Available files

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