Vitas-M small molecule compound
11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403425
SMILES CCOc1cc(cc(c1O)Br)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1cc(OC)c(c(c1)OC)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 C30H31BrN2O6 MW 595.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31BrN2O6/c1-5-39-24-15-18(10-19(31)29(24)35)28-27-22(32-20-8-6-7-9-21(20)33-28)11-16(12-23(27)34)17-13-25(36-2)30(38-4)26(14-17)37-3/h6-10,13-16,28,32-33,35H,5,11-12H2,1-4H3InChIKey
IWQDSHGMTYGVIG-UHFFFAOYSA-NSynonyms
11(3bromo5ethoxy4hydroxyphenyl)3(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3bromo5ethoxy4hydroxyphenyl)9(345trimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C(=C4)OC)OC)OC)NC5=CC=CC=C5N2)Br)O
InChI=1SC30H31BrN2O6c1539241518(1019(31)29(24)35)282722(3220867921(20)3328)1116(1223(27)34)171325(362)30(384)26(1417)373h610131628323335H51112H214H3
MFCD03489255
ZINC000001077258
ZINC000001077269
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