Vitas-M small molecule compound
10a-(methoxycarbonyl)-1-(4-methoxyphenyl)-2,3-dioxo-4-phenyl-1,2,3,5,10,10a-hexahydropyrrolo[2,3-b][1,5]benzodiazepin-10-ium (non-preferred name)
Catalog ID
STL331425
SMILES COc1ccc(cc1)N1C(=O)C(=O)C2=C(Nc3c([NH2+]C12C(=O)OC)cccc3)c1ccccc1
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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 C26H22N3O5 MW 456.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O5/c1-33-18-14-12-17(13-15-18)29-24(31)23(30)21-22(16-8-4-3-5-9-16)27-19-10-6-7-11-20(19)28-26(21,29)25(32)34-2/h3-15,27-28H,1-2H3/p+1InChIKey
STFHTZOUIOKZJW-UHFFFAOYSA-OSynonyms
10a(methoxycarbonyl)1(4methoxyphenyl)23dioxo4phenyl12351010ahexahydropyrrolo(23b)(15)benzodiazepin10ium(nonpreferredname)
COC1=CC=C(C=C1)N2C(=O)C(=O)C3=C(NC4=CC=CC=C4(NH2+)C32C(=O)OC)C5=CC=CC=C5
COc1ccc(cc1)N1C(=O)C(=O)C2=C(Nc3c((NH2+)C12C(=O)OC)cccc3)c1ccccc1
InChI=1SC26H21N3O5c13318141217(131518)2924(31)23(30)2122(168435916)271910671120(19)2826(2129)25(32)342h3152728H12H3p+1
METHYL1(4METHOXYPHENYL)23DIOXO4PHENYL510DIHYDROPYRROLO(23B)(15)BENZODIAZEPIN10IUM10ACARBOXYLATE
MFCD03283689
ZINC000003772132
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