Vitas-M small molecule compound
3-(1,3-benzothiazol-2-yl)-8-{[bis(2-methylpropyl)ammonio]methyl}-6-ethyl-4-oxo-4H-chromen-7-olate
Catalog ID
STK561418
SMILES CCc1cc2c(c(c1[O-])C[NH+](CC(C)C)CC(C)C)occ(c2=O)c1nc2c(s1)cccc2
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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 C27H32N2O3S MW 464.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O3S/c1-6-18-11-19-25(31)21(27-28-22-9-7-8-10-23(22)33-27)15-32-26(19)20(24(18)30)14-29(12-16(2)3)13-17(4)5/h7-11,15-17,30H,6,12-14H2,1-5H3InChIKey
BQABPIQRLNSCFS-UHFFFAOYSA-NSynonyms
637747-23-03(13benzothiazol2yl)8((bis(2methylpropyl)ammonio)methyl)6ethyl4oxo4Hchromen7olate
CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)CN(CC(C)C)CC(C)C)O
CCc1cc2c(c(c1(O))C(NH+)(CC(C)C)CC(C)C)occ(c2=O)c1nc2c(s1)cccc2
InChI=1SC27H32N2O3Sc1618111925(31)21(2728229781023(22)3327)153226(19)20(24(18)30)1429(1216(2)3)1317(4)5h711151730H61214H215H3
MFCD03669814
ZINC000001833052
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