Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl[2-(3-ethoxy-4-propoxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK572001
SMILES CCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[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 C30H30N2O7 MW 530.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O7/c1-3-13-37-22-7-5-20(16-24(22)36-4-2)27-26(28(33)21-6-8-23-25(17-21)39-15-14-38-23)29(34)30(35)32(27)18-19-9-11-31-12-10-19/h5-12,16-17,27,33H,3-4,13-15,18H2,1-2H3/b28-26+InChIKey
VGLYLYZIPZLGSA-BYCLXTJYSA-NSynonyms
620567-19-3(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PROPOXYPHENYL)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(3ethoxy4propoxyphenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)methanolate
620567193
CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CC=NC=C5)OCC
CCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC30H30N2O7c131337227520(1624(22)3642)2726(28(33)21682325(1721)3915143823)29(34)30(35)32(27)181991131121019h51216172733H34131518H212H3b2826+
MFCD07205384
ZINC000102567879
ZINC000102567885
Check stock
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