Vitas-M small molecule compound
1-[10-chloro-6-(4-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521971
SMILES COc1ccc(cc1)C1Oc2nc(SC)nnc2c2c(N1C(=O)C)ccc(c2)Cl
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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 C20H17ClN4O3S MW 428.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O3S/c1-11(26)25-16-9-6-13(21)10-15(16)17-18(22-20(29-3)24-23-17)28-19(25)12-4-7-14(27-2)8-5-12/h4-10,19H,1-3H3InChIKey
KGXMPNXBXSGPLX-UHFFFAOYSA-NSynonyms
1(10chloro6(4methoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(10CHLORO6(4METHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
4(7ACETYL10CHLORO3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLMETHYLETHER
CC(=O)N1C(OC2=C(C3=C1C=CC(=C3)Cl)N=NC(=N2)SC)C4=CC=C(C=C4)OC
InChI=1SC20H17ClN4O3Sc111(26)25169613(21)1015(16)1718(2220(293)242317)2819(25)124714(272)8512h41019H13H3
MFCD04090703
ZINC000000684888
ZINC000000684889
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