Vitas-M small molecule compound
11-(5-bromothiophen-2-yl)-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STL169463
SMILES Brc1ccc(s1)C1C2=C(Nc3c(N1C(=O)Cc1ccccc1)cccc3)CC(CC2=O)(C)C
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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 C27H25BrN2O2S MW 521.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25BrN2O2S/c1-27(2)15-19-25(21(31)16-27)26(22-12-13-23(28)33-22)30(20-11-7-6-10-18(20)29-19)24(32)14-17-8-4-3-5-9-17/h3-13,26,29H,14-16H2,1-2H3InChIKey
KQQBRDRELLYQJW-UHFFFAOYSA-NSynonyms
362498-01-911(5bromothiophen2yl)33dimethyl10(phenylacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
362498019
6(5bromothiophen2yl)99dimethyl5(2phenylacetyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CC4=CC=CC=C4)C5=CC=C(S5)Br)C(=O)C1)C
InChI=1SC27H25BrN2O2Sc127(2)151925(21(31)1627)26(22121323(28)3322)30(2011761018(20)2919)24(32)14178435917h3132629H1416H212H3
MFCD01471121
ZINC000012384438
ZINC000012384439
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