Vitas-M small molecule compound
3,4-dibromo-6-methoxy-2-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate
Catalog ID
STK521142
SMILES CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1c(Br)c(Br)cc(c1OC(=O)CC)OC
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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 C24H22Br2N4O5S MW 638.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22Br2N4O5S/c1-5-16(31)30-14-10-8-7-9-12(14)20-22(27-24(36-4)29-28-20)35-23(30)18-19(26)13(25)11-15(33-3)21(18)34-17(32)6-2/h7-11,23H,5-6H2,1-4H3InChIKey
OTDZWPQSOCYZIZ-UHFFFAOYSA-NSynonyms
(34DIBROMO6METHOXY2(3METHYLSULFANYL7PROPANOYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYL)PROPANOATE
34dibromo6methoxy2(3(methylsulfanyl)7propanoyl67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenylpropanoate
34DIBROMO6METHOXY2(3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLPROPIONATE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C(=CC(=C4Br)Br)OC)OC(=O)CC
InChI=1SC24H22Br2N4O5Sc1516(31)30141087912(14)2022(2724(364)292820)3523(30)1819(26)13(25)1115(333)21(18)3417(32)62h71123H56H214H3
MFCD02952042
ZINC000008453138
ZINC000008453139
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