Vitas-M small molecule compound

4-[3,6-bis(diethylamino)-9H-xanthen-9-yl]-3-sulfobenzenesulfonate

Catalog ID
STL367847
SMILES CCN(c1ccc2c(c1)Oc1c(C2c2ccc(cc2S(=O)(=O)O)S(=O)(=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 C27H31N2O7S2 MW 559.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17,27H,5-8H2,1-4H3,(H,30,31,32)(H,33,34,35)/p-1
InChIKey
ZMQJXVGDHQCYTO-UHFFFAOYSA-M
Synonyms

4(36bis(diethylamino)9Hxanthen9yl)3sulfobenzenesulfonate
CCN(c1ccc2c(c1)Oc1c(C2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)(O))ccc(c1)N(CC)CC)CC
CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(CC)CC)C4=C(C=C(C=C4)S(=O)(=O)(O))S(=O)(=O)O
InChI=1SC27H32N2O7S2c1528(62)189122124(1518)36251619(29(73)84)101322(25)27(21)23141120(37(3031)32)1726(23)38(3334)35h91727H58H214H3(H303132)(H333435)p1
ZINC000080902125

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Available files

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