Vitas-M small molecule compound
1-{6-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK508879
SMILES CSc1nnc2c(n1)OC(c1ccc(o1)c1ccc(c(c1)Cl)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 C24H19ClN4O3S MW 478.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClN4O3S/c1-13-8-9-15(12-17(13)25)19-10-11-20(31-19)23-29(14(2)30)18-7-5-4-6-16(18)21-22(32-23)26-24(33-3)28-27-21/h4-12,23H,1-3H3InChIKey
DIBHXZIYPQPWQY-UHFFFAOYSA-NSynonyms
1(6(5(3chloro4methylphenyl)furan2yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(5(3CHLORO4METHYLPHENYL)FURAN2YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(5(3CHLORO4METHYLPHENYL)2FURYL)3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CC1=C(C=C(C=C1)C2=CC=C(O2)C3N(C4=CC=CC=C4C5=C(O3)N=C(N=N5)SC)C(=O)C)Cl
InChI=1SC24H19ClN4O3Sc1138915(1217(13)25)19101120(3119)2329(14(2)30)18754616(18)2122(3223)2624(333)282721h41223H13H3
MFCD01929864
ZINC000000683366
ZINC000000683367
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