Vitas-M small molecule compound
methyl 11-[3-methoxy-2-(propan-2-yloxy)phenyl]-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Catalog ID
STK405148
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1cccc(c1OC(C)C)OC
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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 C26H30N2O5 MW 450.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O5/c1-14(2)33-25-16(9-8-12-20(25)31-4)23-22-19(27-17-10-6-7-11-18(17)28-23)13-15(3)21(24(22)29)26(30)32-5/h6-12,14-15,21,23,27-28H,13H2,1-5H3InChIKey
FGGYJJIADFVKEI-UHFFFAOYSA-NSynonyms
CC1CC2=C(C(NC3=CC=CC=C3N2)C4=C(C(=CC=C4)OC)OC(C)C)C(=O)C1C(=O)OC
InChI=1SC26H30N2O5c114(2)332516(981220(25)314)232219(271710671118(17)2823)1315(3)21(24(22)29)26(30)325h612141521232728H13H215H3
methyl11(3methoxy2(propan2yloxy)phenyl)3methyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
methyl6(3methoxy2propan2yloxyphenyl)9methyl7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD05857839
ZINC000014943486
ZINC000102558631
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