Vitas-M small molecule compound
5-benzyl-3-[4-(diethylamino)-2-hydroxyphenyl]-1-methyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Catalog ID
STK682815
SMILES CCN(c1ccc(c(c1)O)C1NC(C2C1C(=O)N(C2=O)Cc1ccccc1)(C)C(=O)O)CC
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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 C25H29N3O5 MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O5/c1-4-27(5-2)16-11-12-17(18(29)13-16)21-19-20(25(3,26-21)24(32)33)23(31)28(22(19)30)14-15-9-7-6-8-10-15/h6-13,19-21,26,29H,4-5,14H2,1-3H3,(H,32,33)InChIKey
KKLLQPHSPKYEEH-UHFFFAOYSA-NSynonyms
5BENZYL1(4(DIETHYLAMINO)2HYDROXYPHENYL)3METHYL46DIOXO123A6ATETRAHYDROPYRROLO(34C)PYRROLE3CARBOXYLICACID
5benzyl3(4(diethylamino)2hydroxyphenyl)1methyl46dioxooctahydropyrrolo(34c)pyrrole1carboxylicacid
CCN(CC)C1=CC(=C(C=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)C(N2)(C)C(=O)O)O
InChI=1SC25H29N3O5c1427(52)16111217(18(29)1316)211920(25(32621)24(32)33)23(31)28(22(19)30)141597681015h61319212629H4514H213H3(H3233)
MFCD04060895
ZINC000008892463
ZINC000245255674
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