Vitas-M small molecule compound

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

Catalog ID
STK326993
SMILES CCSc1nnc2c(n1)OC(c1cccc(c1Cl)OC(=O)C)N(c1c2cccc1)C(=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 C22H19ClN4O4S MW 470.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN4O4S/c1-4-32-22-24-20-19(25-26-22)14-8-5-6-10-16(14)27(12(2)28)21(31-20)15-9-7-11-17(18(15)23)30-13(3)29/h5-11,21H,4H2,1-3H3
InChIKey
FWLPSVMMBUWIHB-UHFFFAOYSA-N
Synonyms

(3(7acetyl3ethylsulfanyl6H(124)triazino(56d)(31)benzoxazepin6yl)2chlorophenyl)acetate
3(7acetyl3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)2chlorophenylacetate
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C(=CC=C4)OC(=O)C)Cl)C(=O)C)N=N1
InChI=1SC22H19ClN4O4Sc143222242019(252622)148561016(14)27(12(2)28)21(3120)15971117(18(15)23)3013(3)29h51121H4H213H3
MFCD04230394
ZINC000015015483
ZINC000015015484

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Available files

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