Vitas-M small molecule compound
5-[(4-chlorobenzyl)oxy]-N-[(2Z)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]-4-oxo-4H-pyran-2-carboxamide
Catalog ID
STK941313
SMILES COc1ccc2c(c1)s/c(=N\C(=O)c1occ(c(=O)c1)OCc1ccc(cc1)Cl)/[nH]2
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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 C21H15ClN2O5S MW 442.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN2O5S/c1-27-14-6-7-15-19(8-14)30-21(23-15)24-20(26)17-9-16(25)18(11-29-17)28-10-12-2-4-13(22)5-3-12/h2-9,11H,10H2,1H3,(H,23,24,26)InChIKey
MMDFGJWAMDVENK-UHFFFAOYSA-NSynonyms
1219540-52-91219540529
5((4chlorobenzyl)oxy)N((2Z)6methoxy13benzothiazol2(3H)ylidene)4oxo4Hpyran2carboxamide
5((4chlorophenyl)methoxy)N(6methoxy13benzothiazol2yl)4oxopyran2carboxamide
COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=O)C(=CO3)OCC4=CC=C(C=C4)Cl
COc1ccc2c(c1)sc(=NC(=O)c1occ(c(=O)c1)OCc1ccc(cc1)Cl)(nH)2
InChI=1SC21H15ClN2O5Sc12714671519(814)3021(2315)2420(26)17916(25)18(112917)2810122413(22)5312h2911H10H21H3(H232426)
MFCD18179772
ZINC000040286550
ZINC40286550
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