Vitas-M small molecule compound
(2Z)-6-hydroxy-2-(3-methoxybenzylidene)-4-methyl-5,7-bis(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one
Catalog ID
STL034477
SMILES COc1cccc(c1)/C=C/1\Oc2c(C1=O)c(C)c(c(c2CN1CCCC1)O)CN1CCCC1
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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 C27H32N2O4 MW 448.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O4/c1-18-21(16-28-10-3-4-11-28)25(30)22(17-29-12-5-6-13-29)27-24(18)26(31)23(33-27)15-19-8-7-9-20(14-19)32-2/h7-9,14-15,30H,3-6,10-13,16-17H2,1-2H3/b23-15-InChIKey
SSFBNZQGXCAXBU-HAHDFKILSA-NSynonyms
(2Z)6hydroxy2((3methoxyphenyl)methylidene)4methyl57bis(pyrrolidin1ylmethyl)1benzofuran3one
(2Z)6hydroxy2(3methoxybenzylidene)4methyl57bis(pyrrolidin1ylmethyl)1benzofuran3(2H)one
57BIS(PYRROLIDINYLMETHYL)6HYDROXY2((3METHOXYPHENYL)METHYLENE)4METHYLBENZO(B)FURAN3ONE
CC1=C2C(=C(C(=C1CN3CCCC3)O)CN4CCCC4)OC(=CC5=CC(=CC=C5)OC)C2=O
COc1cccc(c1)C=C1Oc2c(C1=O)c(C)c(c(c2CN1CCCC1)O)CN1CCCC1
InChI=1SC27H32N2O4c11821(162810341128)25(30)22(172912561329)2724(18)26(31)23(3327)151987920(1419)322h79141530H3610131617H212H3b2315
MFCD10041308
ZINC000011865254
ZINC11865254
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