Vitas-M small molecule compound
(E)-[2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene](2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK589801
SMILES COc1cc(cc(c1O)Br)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 C27H23BrN2O6 MW 551.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrN2O6/c1-14-9-17-10-16(3-4-20(17)36-14)24(31)22-23(18-11-19(28)25(32)21(12-18)35-2)30(27(34)26(22)33)13-15-5-7-29-8-6-15/h3-8,10-12,14,23,31-32H,9,13H2,1-2H3/b24-22+InChIKey
MQJRTZFWXIPYCS-ZNTNEXAZSA-NSynonyms
897835-75-5(E)(2(3bromo4hydroxy5methoxyphenyl)45dioxo1(pyridin1ium4ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(3bromo4hydroxy5methoxyphenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
897835755
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=(NH+)C=C4)C5=CC(=C(C(=C5)Br)O)OC)(O)
COc1cc(cc(c1O)Br)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC27H23BrN2O6c1149171016(3420(17)3614)24(31)2223(181119(28)25(32)21(1218)352)30(27(34)26(22)33)131557298615h38101214233132H913H212H3b2422+
MFCD07204876
ZINC000102605750
ZINC000102674341
Check stock
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