Vitas-M small molecule compound

2-methoxy-4-[(Z)-{2-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenolate

Catalog ID
STK564868
SMILES COc1cc(ccc1[O-])/C=C/1\SC(=NC1=O)N1CC[NH+](CC1)c1ccc(cc1)[N+](=O)[O-]

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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 C21H20N4O5S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O5S/c1-30-18-12-14(2-7-17(18)26)13-19-20(27)22-21(31-19)24-10-8-23(9-11-24)15-3-5-16(6-4-15)25(28)29/h2-7,12-13,26H,8-11H2,1H3/b19-13-
InChIKey
BLPQJMVBPWUIIR-UYRXBGFRSA-N
Synonyms
844447-18-3
(5Z)5((4HYDROXY3METHOXYPHENYL)METHYLIDENE)2(4(4NITROPHENYL)PIPERAZIN1YL)13THIAZOL4ONE
2methoxy4((Z)(2(4(4nitrophenyl)piperazin4ium1yl)4oxo13thiazol5(4H)ylidene)methyl)phenolate
2METHOXY4((Z)(2(4(4NITROPHENYL)PIPERAZIN4IUM1YL)4OXO13THIAZOL5YLIDENE)METHYL)PHENOLATE
844447183
COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N3CCN(CC3)C4=CC=C(C=C4)(N+)(=O)(O))O
COc1cc(ccc1(O))C=C1SC(=NC1=O)N1CC(NH+)(CC1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H20N4O5Sc130181214(2717(18)26)131920(27)2221(3119)2410823(91124)153516(6415)25(28)29h27121326H811H21H3b1913
MFCD04154972
ZINC000009191750
ZINC09191750
ZINC9191750

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Available files

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