Vitas-M small molecule compound
4-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl acetate
Catalog ID
STK521925
SMILES CCSc1nnc2c(n1)OC(c1ccc(cc1)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 C22H20N4O4S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4S/c1-4-31-22-23-20-19(24-25-22)17-7-5-6-8-18(17)26(13(2)27)21(30-20)15-9-11-16(12-10-15)29-14(3)28/h5-12,21H,4H2,1-3H3InChIKey
FVEMTVHDPZAROX-UHFFFAOYSA-NSynonyms
(4(7ACETYL3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYL)ACETATE
4(7acetyl3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenylacetate
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(C=C4)OC(=O)C)C(=O)C)N=N1
InChI=1SC22H20N4O4Sc143122232019(242522)17756818(17)26(13(2)27)21(3020)1591116(121015)2914(3)28h51221H4H213H3
MFCD02378157
ZINC000003640800
ZINC000003640801
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