Vitas-M small molecule compound
1-[6-(6-chloro-1,3-benzodioxol-5-yl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521554
SMILES CCSc1nnc2c(n1)OC(c1cc3OCOc3cc1Cl)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 C21H17ClN4O4S MW 456.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O4S/c1-3-31-21-23-19-18(24-25-21)12-6-4-5-7-15(12)26(11(2)27)20(30-19)13-8-16-17(9-14(13)22)29-10-28-16/h4-9,20H,3,10H2,1-2H3InChIKey
VICPJOSVYDUUII-UHFFFAOYSA-NSynonyms
1(6(6chloro13benzodioxol5yl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(6CHLORO13BENZODIOXOL5YL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC5=C(C=C4Cl)OCO5)C(=O)C)N=N1
InChI=1SC21H17ClN4O4Sc133121231918(242521)12645715(12)26(11(2)27)20(3019)1381617(914(13)22)29102816h4920H310H212H3
MFCD03710318
ZINC000000795635
ZINC000000795636
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