Vitas-M small molecule compound
3,3-dimethyl-10-(2-methylpropanoyl)-11-(5-nitrothiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STL357455
SMILES CC(C(=O)N1C(c2ccc(s2)[N+](=O)[O-])C2=C(Nc3c1cccc3)CC(CC2=O)(C)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 C23H25N3O4S MW 439.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O4S/c1-13(2)22(28)25-16-8-6-5-7-14(16)24-15-11-23(3,4)12-17(27)20(15)21(25)18-9-10-19(31-18)26(29)30/h5-10,13,21,24H,11-12H2,1-4H3InChIKey
GBYGBVGDGOQLFP-UHFFFAOYSA-NSynonyms
352687-16-210isobutyryl33dimethyl11(5nitrothiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
33dimethyl10(2methylpropanoyl)11(5nitrothiophen2yl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
352687162
99dimethyl5(2methylpropanoyl)6(5nitrothiophen2yl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC(C(=O)N1C(c2ccc(s2)(N+)(=O)(O))C2=C(Nc3c1cccc3)CC(CC2=O)(C)C)C
CC(C)C(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(S4)(N+)(=O)(O)
InChI=1SC23H25N3O4Sc113(2)22(28)2516865714(16)24151123(34)1217(27)20(15)21(25)1891019(3118)26(29)30h510132124H1112H214H3
MFCD01811006
ZINC000008994637
ZINC000017042932
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