Vitas-M small molecule compound
(5E)-2-[(2-chlorophenyl)amino]-5-{3-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1,3-thiazol-4(5H)-one
Catalog ID
STL406852
SMILES COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=C\1/SC(=NC1=O)Nc1ccccc1Cl
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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 C24H18ClN3O5S MW 495.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18ClN3O5S/c1-32-21-12-16(8-11-20(21)33-14-15-6-9-17(10-7-15)28(30)31)13-22-23(29)27-24(34-22)26-19-5-3-2-4-18(19)25/h2-13H,14H2,1H3,(H,26,27,29)/b22-13+InChIKey
BXUMRRZPOQJDRW-LPYMAVHISA-NSynonyms
(5E)2((2chlorophenyl)amino)5(3methoxy4((4nitrobenzyl)oxy)benzylidene)13thiazol4(5H)one
(5E)2(2chloroanilino)5((3methoxy4((4nitrophenyl)methoxy)phenyl)methylidene)13thiazol4one
COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC=CC=C3Cl)OCC4=CC=C(C=C4)(N+)(=O)(O)
COc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))C=C1SC(=NC1=O)Nc1ccccc1Cl
InChI=1SC24H18ClN3O5Sc132211216(81120(21)3314156917(10715)28(30)31)132223(29)2724(3422)2619532418(19)25h213H14H21H3(H262729)b2213+
MFCD30704544
ZINC000009296694
ZINC09296694
ZINC9296694
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