Vitas-M small molecule compound
11-(2-bromo-3,4,5-trimethoxyphenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK059713
SMILES COc1cc(C2Nc3cc(C)c(cc3NC3=C2C(=O)CC(C3)(C)C)C)c(c(c1OC)OC)Br
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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 C26H31BrN2O4 MW 515.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31BrN2O4/c1-13-8-16-17(9-14(13)2)29-23(21-18(28-16)11-26(3,4)12-19(21)30)15-10-20(31-5)24(32-6)25(33-7)22(15)27/h8-10,23,28-29H,11-12H2,1-7H3InChIKey
WDUZTMCWTIJANI-UHFFFAOYSA-NSynonyms
11(2bromo345trimethoxyphenyl)3378tetramethyl23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(2bromo345trimethoxyphenyl)2399tetramethyl681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC(=C(C(=C4Br)OC)OC)OC)C(=O)CC(C3)(C)C
COc1cc(C2Nc3cc(C)c(cc3NC3=C2C(=O)CC(C3)(C)C)C)c(c(c1OC)OC)Br
InChI=1SC26H31BrN2O4c11381617(914(13)2)2923(2118(2816)1126(34)1219(21)30)151020(315)24(326)25(337)22(15)27h810232829H1112H217H3
MFCD02105008
STK059713
ZINC000001186959
ZINC000001186960
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