Vitas-M small molecule compound
3-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate
Catalog ID
STK521228
SMILES CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1cccc(c1)OC(=O)CC
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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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c1-4-18(28)27-17-12-7-6-11-16(17)20-21(24-23(32-3)26-25-20)31-22(27)14-9-8-10-15(13-14)30-19(29)5-2/h6-13,22H,4-5H2,1-3H3InChIKey
INXSLIVYDFMDPK-UHFFFAOYSA-NSynonyms
(3(3METHYLSULFANYL7PROPANOYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYL)PROPANOATE
3(3(methylsulfanyl)7propanoyl67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenylpropanoate
3(3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLPROPIONATE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC=C4)OC(=O)CC
InChI=1SC23H22N4O4Sc1418(28)271712761116(17)2021(2423(323)262520)3122(27)14981015(1314)3019(29)52h61322H45H213H3
MFCD03080329
ZINC000000684332
ZINC000000684333
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