Vitas-M small molecule compound
methyl 4-{7-acetyl-3-[(2-chlorobenzyl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}benzoate
Catalog ID
STK327018
SMILES COC(=O)c1ccc(cc1)C1Oc2nc(nnc2c2c(N1C(=O)C)cccc2)SCc1ccccc1Cl
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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 C27H21ClN4O4S MW 533.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN4O4S/c1-16(33)32-22-10-6-4-8-20(22)23-24(36-25(32)17-11-13-18(14-12-17)26(34)35-2)29-27(31-30-23)37-15-19-7-3-5-9-21(19)28/h3-14,25H,15H2,1-2H3InChIKey
HVQQVLGZVUHJGX-UHFFFAOYSA-NSynonyms
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC4=CC=CC=C4Cl)C5=CC=C(C=C5)C(=O)OC
InChI=1SC27H21ClN4O4Sc116(33)32221064820(22)2324(3625(32)17111318(141217)26(34)352)2927(313023)371519735921(19)28h31425H15H212H3
methyl4(7acetyl3((2chlorobenzyl)sulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)benzoate
METHYL4(7ACETYL3((2CHLOROPHENYL)METHYLSULFANYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)BENZOATE
MFCD03784969
ZINC000000684848
ZINC000000684849
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