Vitas-M small molecule compound
3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-7-[(4-nitrobenzyl)oxy]-4H-chromen-4-one
Catalog ID
STK555067
SMILES CCc1cc2c(cc1OCc1ccc(cc1)[N+](=O)[O-])oc(c(c2=O)c1nc2c(s1)cccc2)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 C26H20N2O5S MW 472.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O5S/c1-3-17-12-19-22(13-21(17)32-14-16-8-10-18(11-9-16)28(30)31)33-15(2)24(25(19)29)26-27-20-6-4-5-7-23(20)34-26/h4-13H,3,14H2,1-2H3InChIKey
WQXQKFIMBHITDE-UHFFFAOYSA-NSynonyms
637749-50-93(13benzothiazol2yl)6ethyl2methyl7((4nitrobenzyl)oxy)4Hchromen4one
3(13BENZOTHIAZOL2YL)6ETHYL2METHYL7((4NITROPHENYL)METHOXY)CHROMEN4ONE
3(benzo(d)thiazol2yl)6ethyl2methyl7((4nitrobenzyl)oxy)4Hchromen4one
3BENZOTHIAZOL2YL6ETHYL2METHYL7((4NITROPHENYL)METHOXY)CHROMEN4ONE
637749509
CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)OCC5=CC=C(C=C5)(N+)(=O)(O)
CCc1cc2c(cc1OCc1ccc(cc1)(N+)(=O)(O))oc(c(c2=O)c1nc2c(s1)cccc2)C
InChI=1SC26H20N2O5Sc1317121922(1321(17)32141681018(11916)28(30)31)3315(2)24(25(19)29)262720645723(20)3426h413H314H212H3
MFCD04008656
ZINC000001840465
ZINC01840465
ZINC1840465
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