Vitas-M small molecule compound
(E)-[2-(3-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene](2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK595803
SMILES Oc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1
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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 C26H22N2O5 MW 442.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O5/c1-15-11-19-12-18(5-6-21(19)33-15)24(30)22-23(17-3-2-4-20(29)13-17)28(26(32)25(22)31)14-16-7-9-27-10-8-16/h2-10,12-13,15,23,29-30H,11,14H2,1H3/b24-22+InChIKey
NIOJASFNNPBCKZ-ZNTNEXAZSA-NSynonyms
896834-29-0(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3HYDROXYPHENYL)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)(2(3hydroxyphenyl)45dioxo1(pyridin1ium4ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(3hydroxyphenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
896834290
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=(NH+)C=C4)C5=CC(=CC=C5)O)(O)
InChI=1SC26H22N2O5c11511191218(5621(19)3315)24(30)2223(1732420(29)1317)28(26(32)25(22)31)1416792710816h210121315232930H1114H21H3b2422+
MFCD07209663
Oc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
ZINC000102618923
ZINC000102679037
Check stock
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