Vitas-M small molecule compound

3,3-dimethyl-10-(2-methylpropanoyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK036775
SMILES COc1c(OC)cc(cc1OC)C1C2=C(Nc3c(N1C(=O)C(C)C)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 C28H34N2O5 MW 478.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O5/c1-16(2)27(32)30-20-11-9-8-10-18(20)29-19-14-28(3,4)15-21(31)24(19)25(30)17-12-22(33-5)26(35-7)23(13-17)34-6/h8-13,16,25,29H,14-15H2,1-7H3
InChIKey
CWRHJPQXJULNQG-UHFFFAOYSA-N
Synonyms
292064-53-0
10isobutyryl33dimethyl11(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
292064530
33dimethyl10(2methylpropanoyl)11(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
99dimethyl5(2methylpropanoyl)6(345trimethoxyphenyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC(C)C(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC(=C(C(=C4)OC)OC)OC
COc1c(OC)cc(cc1OC)C1C2=C(Nc3c(N1C(=O)C(C)C)cccc3)CC(CC2=O)(C)C
InChI=1SC28H34N2O5c116(2)27(32)302011981018(20)29191428(34)1521(31)24(19)25(30)171222(335)26(357)23(1317)346h813162529H1415H217H3
MFCD01417415
STK036775
ZINC000018323471
ZINC000018323475

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Available files

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