Vitas-M small molecule compound
11-(5-methylthiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403325
SMILES COc1c(OC)cc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(s1)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 C27H28N2O4S MW 476.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O4S/c1-15-9-10-24(34-15)26-25-20(28-18-7-5-6-8-19(18)29-26)11-16(12-21(25)30)17-13-22(31-2)27(33-4)23(14-17)32-3/h5-10,13-14,16,26,28-29H,11-12H2,1-4H3InChIKey
RIIMHZMWODZTGR-UHFFFAOYSA-NSynonyms
11(5methylthiophen2yl)3(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(5methylthiophen2yl)9(345trimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CC1=CC=C(S1)C2C3=C(CC(CC3=O)C4=CC(=C(C(=C4)OC)OC)OC)NC5=CC=CC=C5N2
InChI=1SC27H28N2O4Sc11591024(3415)262520(2818756819(18)2926)1116(1221(25)30)171322(312)27(334)23(1417)323h510131416262829H1112H214H3
MFCD03489136
ZINC000008430571
ZINC000008430576
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