Vitas-M small molecule compound
1-{6-[3-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}butan-1-one
Catalog ID
STK980123
SMILES C=CCOc1c(Br)cc(cc1OCC)C1Oc2nc(SC)nnc2c2c(N1C(=O)CCC)cccc2
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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 C26H27BrN4O4S MW 571.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27BrN4O4S/c1-5-10-21(32)31-19-12-9-8-11-17(19)22-24(28-26(36-4)30-29-22)35-25(31)16-14-18(27)23(34-13-6-2)20(15-16)33-7-3/h6,8-9,11-12,14-15,25H,2,5,7,10,13H2,1,3-4H3InChIKey
SRVNHMVAILAKIR-UHFFFAOYSA-NSynonyms
1(6(3bromo5ethoxy4(prop2en1yloxy)phenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(6(3BROMO5ETHOXY4PROP2ENOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)BUTAN1ONE
6(4(ALLYLOXY)3BROMO5ETHOXYPHENYL)7BUTYRYL3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C(=C4)Br)OCC=C)OCC
InChI=1SC26H27BrN4O4Sc151021(32)311912981117(19)2224(2826(364)302922)3525(31)161418(27)23(341362)20(1516)3373h6891112141525H2571013H2134H3
MFCD03235582
ZINC000002114074
ZINC000002114075
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