Vitas-M small molecule compound
methyl 4-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoate
Catalog ID
STK521853
SMILES CCSc1nnc2c(n1)OC(c1ccc(cc1)C(=O)OC)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/c1-4-31-22-23-19-18(24-25-22)16-7-5-6-8-17(16)26(13(2)27)20(30-19)14-9-11-15(12-10-14)21(28)29-3/h5-12,20H,4H2,1-3H3InChIKey
LTSDSKVSBWCODT-UHFFFAOYSA-NSynonyms
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(C=C4)C(=O)OC)C(=O)C)N=N1
InChI=1SC22H20N4O4Sc143122231918(242522)16756817(16)26(13(2)27)20(3019)1491115(121014)21(28)293h51220H4H213H3
methyl4(7acetyl3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)benzoate
METHYL4(7ACETYL3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)BENZOATE
MFCD13370905
ZINC000003640769
ZINC000003640771
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