Vitas-M small molecule compound
10-acetyl-3,3-dimethyl-7-(phenylcarbonyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK082287
SMILES COc1cc(cc(c1OC)OC)C1C2=C(Nc3c(N1C(=O)C)ccc(c3)C(=O)c1ccccc1)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 C33H34N2O6 MW 554.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N2O6/c1-19(36)35-25-13-12-21(31(38)20-10-8-7-9-11-20)14-23(25)34-24-17-33(2,3)18-26(37)29(24)30(35)22-15-27(39-4)32(41-6)28(16-22)40-5/h7-16,30,34H,17-18H2,1-6H3InChIKey
NQMXDOJFHFCBJI-UHFFFAOYSA-NSynonyms
10acetyl33dimethyl7(phenylcarbonyl)11(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
5acetyl2benzoyl99dimethyl6(345trimethoxyphenyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=C1C=CC(=C3)C(=O)C4=CC=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC
COc1cc(cc(c1OC)OC)C1C2=C(Nc3c(N1C(=O)C)ccc(c3)C(=O)c1ccccc1)CC(CC2=O)(C)C
InChI=1SC33H34N2O6c119(36)3525131221(31(38)20108791120)1423(25)34241733(23)1826(37)29(24)30(35)221527(394)32(416)28(1622)405h7163034H1718H216H3
MFCD08673718
STK082287
ZINC000098045116
ZINC000098045117
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