Vitas-M small molecule compound
11-(1H-indol-3-yl)-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK027054
SMILES CC(CC(=O)N1c2ccccc2NC2=C(C1c1c[nH]c3c1cccc3)C(=O)CC(C2)(C)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 C28H31N3O2 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2/c1-17(2)13-25(33)31-23-12-8-7-11-21(23)30-22-14-28(3,4)15-24(32)26(22)27(31)19-16-29-20-10-6-5-9-18(19)20/h5-12,16-17,27,29-30H,13-15H2,1-4H3InChIKey
XTDJTDQSFSJBQM-UHFFFAOYSA-NSynonyms
11(1Hindol3yl)33dimethyl10(3methylbutanoyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(1Hindol3yl)99dimethyl5(3methylbutanoyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC(C)CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CNC5=CC=CC=C54
CC(CC(=O)N1c2ccccc2NC2=C(C1c1c(nH)c3c1cccc3)C(=O)CC(C2)(C)C)C
InChI=1SC28H31N3O2c117(2)1325(33)312312871121(23)30221428(34)1524(32)26(22)27(31)191629201065918(19)20h5121617272930H1315H214H3
MFCD02233558
STK027054
ZINC000018285124
ZINC000018285127
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