Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Catalog ID
STL049421
SMILES COc1cc(ccc1O)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OC(C)C)/[O-]
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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 C26H32N2O6 MW 468.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O6/c1-16(2)34-19-10-7-17(8-11-19)24(30)22-23(18-9-12-20(29)21(15-18)33-5)28(26(32)25(22)31)14-6-13-27(3)4/h7-12,15-16,23,29-30H,6,13-14H2,1-5H3/b24-22+InChIKey
VYLOPGBNZZVDRC-ZNTNEXAZSA-NSynonyms
(4E)1(3(DIMETHYLAMINO)PROPYL)5(4HYDROXY3METHOXYPHENYL)4(HYDROXY(4PROPAN2YLOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(4(propan2yloxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4HYDROXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPAN2YLOXYPHENYL)METHANOLATE
CC(C)OC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC(=C(C=C3)O)OC)(O)
COc1cc(ccc1O)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(cc1)OC(C)C)(O)
InChI=1SC26H32N2O6c116(2)341910717(81119)24(30)2223(1891220(29)21(1518)335)28(26(32)25(22)31)1461327(3)4h7121516232930H61314H215H3b2422+
MFCD18249263
ZINC000102885509
ZINC000102885511
Check stock
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Check stock on Vitas-MAvailable files
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