Vitas-M small molecule compound

10-acetyl-3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK075886
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1cccc(c1)[N+](=O)[O-])N(C(=O)C)c1c(N2)cccc1

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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 C27H25N3O5 MW 471.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O5/c1-16(31)29-21-10-5-4-9-19(21)28-20-14-27(2,3)15-22(32)25(20)26(29)24-12-11-23(35-24)17-7-6-8-18(13-17)30(33)34/h4-13,26,28H,14-15H2,1-3H3
InChIKey
KBBYLZOEDSNLOJ-UHFFFAOYSA-N
Synonyms
352693-45-9
10acetyl33dimethyl11(5(3nitrophenyl)furan2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
352693459
5acetyl99dimethyl6(5(3nitrophenyl)furan2yl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(O4)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC27H25N3O5c116(31)29211054919(21)28201427(23)1522(32)25(20)26(29)24121123(3524)1776818(1317)30(33)34h4132628H1415H213H3
MFCD01471499
O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1cccc(c1)(N+)(=O)(O))N(C(=O)C)c1c(N2)cccc1
STK075886
ZINC000000997812
ZINC000000997813

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Available files

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