Vitas-M small molecule compound
11-[(5Z)-5-{[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid
Catalog ID
STK706804
SMILES COc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCCCCCCCCC(=O)O)c1ccccc1
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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 C31H35N3O4S2 MW 577.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O4S2/c1-38-26-17-13-14-23(20-26)29-24(22-34(32-29)25-15-9-8-10-16-25)21-27-30(37)33(31(39)40-27)19-12-7-5-3-2-4-6-11-18-28(35)36/h8-10,13-17,20-22H,2-7,11-12,18-19H2,1H3,(H,35,36)/b27-21-InChIKey
VIJRLSDOWPRSIE-MEFGMAGPSA-NSynonyms
(Z)11(5((3(3methoxyphenyl)1phenyl1Hpyrazol4yl)methylene)4oxo2thioxothiazolidin3yl)undecanoicacid
11((5Z)5((3(3methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5((3(3METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
COC1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C4=CC=CC=C4
COc1cccc(c1)c1nn(cc1C=C1SC(=S)N(C1=O)CCCCCCCCCCC(=O)O)c1ccccc1
InChI=1SC31H35N3O4S2c1382617131423(2026)2924(2234(3229)251598101625)212730(37)33(31(39)4027)1912753246111828(35)36h81013172022H2711121819H21H3(H3536)b2721
MFCD04025456
ZINC000097947240
ZINC97947240
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