Vitas-M small molecule compound
2-methoxy-4-{(E)-[4-oxo-2-(phenylamino)-1,3-thiazol-5(4H)-ylidene]methyl}phenyl 4-nitrobenzoate
Catalog ID
STL406746
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-])/C=C\1/SC(=NC1=O)Nc1ccccc1
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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 C24H17N3O6S MW 475.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17N3O6S/c1-32-20-13-15(14-21-22(28)26-24(34-21)25-17-5-3-2-4-6-17)7-12-19(20)33-23(29)16-8-10-18(11-9-16)27(30)31/h2-14H,1H3,(H,25,26,28)/b21-14+InChIKey
ZMFVEAVWXUMJQJ-KGENOOAVSA-NSynonyms
(4((E)(2anilino4oxo13thiazol5ylidene)methyl)2methoxyphenyl)4nitrobenzoate
2methoxy4((E)(4oxo2(phenylamino)13thiazol5(4H)ylidene)methyl)phenyl4nitrobenzoate
COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)NC3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
COc1cc(ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O))C=C1SC(=NC1=O)Nc1ccccc1
InChI=1SC24H17N3O6Sc132201315(142122(28)2624(3421)25175324617)71219(20)3323(29)1681018(11916)27(30)31h214H1H3(H252628)b2114+
MFCD30704492
ZINC000009296665
ZINC09296665
ZINC9296665
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