Vitas-M small molecule compound
ethyl 4-[2-({4-[(4-bromo-10-methoxy-7-methyl-6,7-dihydro-5H-[1,3]dioxolo[4,5-h][3]benzazepin-8-yl)carbonyl]phenyl}amino)-2-oxoethyl]piperazine-1-carboxylate
Catalog ID
STL523816
SMILES CCOC(=O)N1CCN(CC1)CC(=O)Nc1ccc(cc1)C(=O)C1=Cc2c(CCN1C)c(Br)c1c(c2OC)OCO1
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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 C29H33BrN4O7 MW 629.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33BrN4O7/c1-4-39-29(37)34-13-11-33(12-14-34)16-23(35)31-19-7-5-18(6-8-19)25(36)22-15-21-20(9-10-32(22)2)24(30)27-28(26(21)38-3)41-17-40-27/h5-8,15H,4,9-14,16-17H2,1-3H3,(H,31,35)InChIKey
ICQIOPQOJYQMBD-UHFFFAOYSA-NSynonyms
125428363
ethyl4(2((4((4bromo10methoxy7methyl67dihydro5H(13)dioxolo(45h)(3)benzazepin8yl)carbonyl)phenyl)amino)2oxoethyl)piperazine1carboxylate
ethyl4(2((4(4bromo10methoxy7methyl67dihydro5H(13)dioxolo(4545)benzo(12d)azepine8carbonyl)phenyl)amino)2oxoethyl)piperazine1carboxylate
ethyl4(2(4(10bromo4methoxy7methyl89dihydro(13)dioxolo(45h)(3)benzazepine6carbonyl)anilino)2oxoethyl)piperazine1carboxylate
InChI=1SC29H33BrN4O7c143929(37)34131133(121434)1623(35)31197518(6819)25(36)22152120(91032(22)2)24(30)2728(26(21)383)41174027h5815H49141617H213H3(H3135)
MFCD31753244
ZINC000524729752
ZINC524729752
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