Vitas-M small molecule compound
4-bromo-2-[7-butanoyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-methoxyphenyl butanoate
Catalog ID
STK980166
SMILES CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1cc(Br)cc(c1OC(=O)CCC)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 C26H27BrN4O5S MW 587.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27BrN4O5S/c1-5-9-20(32)31-18-12-8-7-11-16(18)22-24(28-26(37-4)30-29-22)36-25(31)17-13-15(27)14-19(34-3)23(17)35-21(33)10-6-2/h7-8,11-14,25H,5-6,9-10H2,1-4H3InChIKey
BOVCTGJFDSCQQC-UHFFFAOYSA-NSynonyms
(4bromo2(7butanoyl3methylsulfanyl6H(124)triazino(56d)(31)benzoxazepin6yl)6methoxyphenyl)butanoate
4bromo2(7butanoyl3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)6methoxyphenylbutanoate
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC(=C4OC(=O)CCC)OC)Br
InChI=1SC26H27BrN4O5Sc15920(32)311812871116(18)2224(2826(374)302922)3625(31)171315(27)1419(343)23(17)3521(33)1062h78111425H56910H214H3
MFCD04231025
ZINC000101010068
ZINC000101010070
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