Vitas-M small molecule compound
4-{[4-(pyridin-3-ylmethyl)piperazin-1-ium-1-yl]methyl}-3-(thiophen-3-ylcarbonyl)-1-benzofuran-5-olate
Catalog ID
STL491736
SMILES [O-]c1ccc2c(c1C[NH+]1CCN(CC1)Cc1cccnc1)c(co2)C(=O)c1cscc1
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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 C24H23N3O3S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O3S/c28-21-3-4-22-23(20(15-30-22)24(29)18-5-11-31-16-18)19(21)14-27-9-7-26(8-10-27)13-17-2-1-6-25-12-17/h1-6,11-12,15-16,28H,7-10,13-14H2InChIKey
VRJUAVYFIANTQC-UHFFFAOYSA-NSynonyms
(5hydroxy4((4(pyridin3ylmethyl)piperazin1yl)methyl)1benzofuran3yl)thiophen3ylmethanone
(O)c1ccc2c(c1C(NH+)1CCN(CC1)Cc1cccnc1)c(co2)C(=O)c1cscc1
4((4(pyridin3ylmethyl)piperazin1ium1yl)methyl)3(thiophen3ylcarbonyl)1benzofuran5olate
C1CN(CCN1CC2=CN=CC=C2)CC3=C(C=CC4=C3C(=CO4)C(=O)C5=CSC=C5)O
InChI=1SC24H23N3O3Sc2821342223(20(153022)24(29)18511311618)19(21)14279726(81027)1317216251217h161112151628H7101314H2
MFCD29057832
ZINC000253413794
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