Vitas-M small molecule compound
3-[1-hydroxy-3,3-dimethyl-10-(phenylcarbonyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate
Catalog ID
STL528471
SMILES CC(=O)Oc1cccc(c1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)c1ccccc1)cccc2)(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 C30H28N2O4 MW 480.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O4/c1-19(33)36-22-13-9-12-21(16-22)28-27-24(17-30(2,3)18-26(27)34)31-23-14-7-8-15-25(23)32(28)29(35)20-10-5-4-6-11-20/h4-16,28,34H,17-18H2,1-3H3InChIKey
RJSRNEYIKUGVKX-UHFFFAOYSA-NSynonyms
3(1hydroxy33dimethyl10(phenylcarbonyl)341011tetrahydro2Hdibenzo(be)(14)diazepin11yl)phenylacetate
InChI=1SC30H28N2O4c119(33)36221391221(1622)282724(1730(23)1826(27)34)312314781525(23)32(28)29(35)20105461120h4162834H1718H213H3
MFCD03800188
ZINC000101597406
ZINC000101597410
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