Vitas-M small molecule compound
2,6-dimethoxy-4-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate
Catalog ID
STK521247
SMILES CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1cc(OC)c(c(c1)OC)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 C25H26N4O6S MW 510.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O6S/c1-6-19(30)29-16-11-9-8-10-15(16)21-23(26-25(36-5)28-27-21)35-24(29)14-12-17(32-3)22(18(13-14)33-4)34-20(31)7-2/h8-13,24H,6-7H2,1-5H3InChIKey
IZAIFGIHVJVDQL-UHFFFAOYSA-NSynonyms
(26DIMETHOXY4(3METHYLSULFANYL7PROPANOYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYL)PROPANOATE
26dimethoxy4(3(methylsulfanyl)7propanoyl67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenylpropanoate
26DIMETHOXY4(3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLPROPIONATE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C(=C4)OC)OC(=O)CC)OC
InChI=1SC25H26N4O6Sc1619(30)291611981015(16)2123(2625(365)282721)3524(29)141217(323)22(18(1314)334)3420(31)72h81324H67H215H3
MFCD03080339
ZINC000000684362
ZINC000000684363
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