Vitas-M small molecule compound
2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoic acid
Catalog ID
STK699968
SMILES CCN(c1ccc2c(c1)Oc1c(C2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC
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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 C28H32N2O3 MW 444.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18,27H,5-8H2,1-4H3,(H,31,32)InChIKey
AGCPHOZQIZDSRS-UHFFFAOYSA-NSynonyms
4344-42-72(36bis(diethylamino)9Hxanthen10ium9yl)benzoate
2(36bis(diethylamino)9Hxanthen9yl)benzoicacid
2(36BIS(DIETHYLAMINO)9HXANTHENE9YL)BENZOICACID
4344427
9(2CARBOXYLATOPHENYL)36BIS(DIETHYLAMINO)910DIHYDROXANTHEN10IUM
CCN(CC)C1=CC2=C(C=C1)C(C3=C((OH+)2)C=C(C=C3)N(CC)CC)C4=CC=CC=C4C(=O)(O)
InChI=1SC28H32N2O3c1529(62)1913152325(1719)33261820(30(73)84)141624(26)27(23)21119101222(21)28(31)32h91827H58H214H3(H3132)
MFCD00071886
ZINC000003881461
ZINC3881461
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