Vitas-M small molecule compound
4-[(E)-{2-[4-(4-methylphenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenyl benzenesulfonate
Catalog ID
STK538999
SMILES Cc1ccc(cc1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(cc2)OS(=O)(=O)c2ccccc2)/S1
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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 C27H25N3O4S2 MW 519.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O4S2/c1-20-7-11-22(12-8-20)29-15-17-30(18-16-29)27-28-26(31)25(35-27)19-21-9-13-23(14-10-21)34-36(32,33)24-5-3-2-4-6-24/h2-14,19H,15-18H2,1H3/b25-19+InChIKey
KZTJZXZCZFZENA-NCELDCMTSA-NSynonyms
385417-87-8(4((E)(2(4(4METHYLPHENYL)PIPERAZIN1YL)4OXO13THIAZOL5YLIDENE)METHYL)PHENYL)BENZENESULFONATE
(E)4((4oxo2(4(ptolyl)piperazin1yl)thiazol5(4H)ylidene)methyl)phenylbenzenesulfonate
385417878
4((E)(2(4(4methylphenyl)piperazin1yl)4oxo13thiazol5(4H)ylidene)methyl)phenylbenzenesulfonate
CC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=O)C(=CC4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC=C5)S3
Cc1ccc(cc1)N1CCN(CC1)C1=NC(=O)C(=Cc2ccc(cc2)OS(=O)(=O)c2ccccc2)S1
InChI=1SC27H25N3O4S2c12071122(12820)29151730(181629)272826(31)25(3527)192191323(141021)3436(3233)245324624h21419H1518H21H3b2519+
MFCD03286012
ZINC000009086490
ZINC09086490
ZINC9086490
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