Vitas-M small molecule compound
methyl 4-[7-butanoyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoate
Catalog ID
STK980088
SMILES CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(cc1)C(=O)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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c1-4-7-18(28)27-17-9-6-5-8-16(17)19-20(24-23(32-3)26-25-19)31-21(27)14-10-12-15(13-11-14)22(29)30-2/h5-6,8-13,21H,4,7H2,1-3H3InChIKey
SXBCFJNFGAZFTG-UHFFFAOYSA-NSynonyms
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C=C4)C(=O)OC
InChI=1SC23H22N4O4Sc14718(28)2717965816(17)1920(2423(323)262519)3121(27)14101215(131114)22(29)302h5681321H47H213H3
methyl4(7butanoyl3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)benzoate
METHYL4(7BUTANOYL3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)BENZOATE
METHYL4(7BUTYRYL3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)BENZOATE
MFCD02952156
ZINC000000684724
ZINC000000684725
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