Vitas-M small molecule compound
3,3-dimethyl-11-(1-methyl-1H-pyrrol-2-yl)-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK079183
SMILES O=C1CC(C)(C)CC2=C1C(N(C(=O)Cc1ccccc1)c1c(N2)cccc1)c1cccn1C
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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 C28H29N3O2 MW 439.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O2/c1-28(2)17-21-26(24(32)18-28)27(23-14-9-15-30(23)3)31(22-13-8-7-12-20(22)29-21)25(33)16-19-10-5-4-6-11-19/h4-15,27,29H,16-18H2,1-3H3InChIKey
LSQGSDDXGORWJA-UHFFFAOYSA-NSynonyms
312621-22-0312621220
33dimethyl11(1methyl1Hpyrrol2yl)10(phenylacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
99dimethyl6(1methylpyrrol2yl)5(2phenylacetyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CC4=CC=CC=C4)C5=CC=CN5C)C(=O)C1)C
InChI=1SC28H29N3O2c128(2)172126(24(32)1828)27(231491530(23)3)31(2213871220(22)2921)25(33)1619105461119h4152729H1618H213H3
MFCD01471046
O=C1CC(C)(C)CC2=C1C(N(C(=O)Cc1ccccc1)c1c(N2)cccc1)c1cccn1C
STK079183
ZINC000001201649
ZINC000001201652
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