Vitas-M small molecule compound
1-[6-(2-chloro-6-fluorophenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521858
SMILES CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1c(F)cccc1Cl
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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 C20H16ClFN4O2S MW 430.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClFN4O2S/c1-3-29-20-23-18-17(24-25-20)12-7-4-5-10-15(12)26(11(2)27)19(28-18)16-13(21)8-6-9-14(16)22/h4-10,19H,3H2,1-2H3InChIKey
DKXFGKHTDPFQAA-UHFFFAOYSA-NSynonyms
1(6(2chloro6fluorophenyl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(2CHLORO6FLUOROPHENYL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=CC=C4Cl)F)C(=O)C)N=N1
InChI=1SC20H16ClFN4O2Sc132920231817(242520)127451015(12)26(11(2)27)19(2818)1613(21)86914(16)22h41019H3H212H3
MFCD03993495
ZINC000001120783
ZINC000001120784
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