Vitas-M small molecule compound
5-[(Z)-(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl]-2-hydroxy-3-methylbenzoic acid
Catalog ID
STK066826
SMILES CC1=C/C(=C(/c2c(Cl)ccc(c2Cl)S(=O)(=O)O)\c2cc(C)c(c(c2)C(=O)O)O)/C=C(C1=O)C(=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 C23H16Cl2O9S MW 539.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16Cl2O9S/c1-9-5-11(7-13(20(9)26)22(28)29)17(12-6-10(2)21(27)14(8-12)23(30)31)18-15(24)3-4-16(19(18)25)35(32,33)34/h3-8,26H,1-2H3,(H,28,29)(H,30,31)(H,32,33,34)/b17-12-InChIKey
GNKCWVPIWVNYKN-ATVHPVEESA-NSynonyms
94086-53-0(Z)5((3carboxy5methyl4oxocyclohexa25dien1ylidene)(26dichloro3sulfophenyl)methyl)2hydroxy3methylbenzoicacid
5(((1Z)3CARBOXY5METHYL4OXOCYCLOHEXA25DIEN1YLIDENE)(26DICHLORO3SULFOPHENYL)METHYL)2HYDROXY3METHYLBENZOICACID
5((3CARBOXY5METHYL4OXO25CYCLOHEXADIEN1YLIDENE)(26DICHLOROSULPHOPHENYL)METHYL)3METHYLSALICYLICACID
5((Z)(3CARBOXY5METHYL4OXOCYCLOHEXA25DIEN1YLIDENE)(26DICHLORO3SULFOPHENYL)METHYL)2HYDROXY3METHYLBENZOICACID
94086530
CC1=CC(=C(c2c(Cl)ccc(c2Cl)S(=O)(=O)O)c2cc(C)c(c(c2)C(=O)O)O)C=C(C1=O)C(=O)O
CC1=CC(=CC(=C1O)C(=O)O)C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=C(C=CC(=C3Cl)S(=O)(=O)O)Cl
InChI=1SC23H16Cl2O9Sc19511(713(20(9)26)22(28)29)17(12610(2)21(27)14(812)23(30)31)1815(24)3416(19(18)25)35(3233)34h3826H12H3(H2829)(H3031)(H323334)b1712
MFCD00045542
STK066826
ZINC000004726498
ZINC4726498
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