Vitas-M small molecule compound
3-(1,3-benzothiazol-2-yl)-8-{[bis(2-methylpropyl)ammonio]methyl}-4-oxo-4H-chromen-7-olate
Catalog ID
STK578391
SMILES CC(C[NH+](Cc1c([O-])ccc2c1occ(c2=O)c1nc2c(s1)cccc2)CC(C)C)C
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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 C25H28N2O3S MW 436.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O3S/c1-15(2)11-27(12-16(3)4)13-18-21(28)10-9-17-23(29)19(14-30-24(17)18)25-26-20-7-5-6-8-22(20)31-25/h5-10,14-16,28H,11-13H2,1-4H3InChIKey
IDANMNHWJSGHEV-UHFFFAOYSA-NSynonyms
637747-62-73(13benzothiazol2yl)8((bis(2methylpropyl)ammonio)methyl)4oxo4Hchromen7olate
CC(C(NH+)(Cc1c((O))ccc2c1occ(c2=O)c1nc2c(s1)cccc2)CC(C)C)C
CC(C)CN(CC1=C(C=CC2=C1OC=C(C2=O)C3=NC4=CC=CC=C4S3)O)CC(C)C
InChI=1SC25H28N2O3Sc115(2)1127(1216(3)4)131821(28)1091723(29)19(143024(17)18)252620756822(20)3125h510141628H1113H214H3
MFCD03683773
ZINC000002240684
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