Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-11-(5-ethylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK701212
SMILES CCc1ccc(s1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(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 C27H28N2O3S MW 460.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O3S/c1-4-18-10-12-25(33-18)27-26-21(28-19-7-5-6-8-20(19)29-27)13-17(14-22(26)30)16-9-11-23(31-2)24(15-16)32-3/h5-12,15,17,27-29H,4,13-14H2,1-3H3InChIKey
PMNKPWZDMFFPCI-UHFFFAOYSA-NSynonyms
3(34dimethoxyphenyl)11(5ethylthiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(34dimethoxyphenyl)6(5ethylthiophen2yl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCC1=CC=C(S1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC5=CC=CC=C5N2
InChI=1SC27H28N2O3Sc1418101225(3318)272621(2819756820(19)2927)1317(1422(26)30)1691123(312)24(1516)323h51215172729H41314H213H3
MFCD02105359
ZINC000000718187
ZINC000000718190
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