Vitas-M small molecule compound
11-[(5Z)-5-{[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid
Catalog ID
STK799178
SMILES CCOc1ccc(c(c1)C)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 C33H39N3O4S2 MW 605.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39N3O4S2/c1-3-40-27-18-19-28(24(2)21-27)31-25(23-36(34-31)26-15-11-10-12-16-26)22-29-32(39)35(33(41)42-29)20-14-9-7-5-4-6-8-13-17-30(37)38/h10-12,15-16,18-19,21-23H,3-9,13-14,17,20H2,1-2H3,(H,37,38)/b29-22-InChIKey
IWKKSMUYFKXCQE-IADYIPOJSA-NSynonyms
11((5Z)5((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5((3(4ETHOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C4=CC=CC=C4)C
CCOc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)CCCCCCCCCCC(=O)O)c1ccccc1
InChI=1SC33H39N3O4S2c134027181928(24(2)2127)3125(2336(3431)26151110121626)222932(39)35(33(41)4229)2014975468131730(37)38h1012151618192123H3913141720H212H3(H3738)b2922
MFCD03418451
ZINC000100839792
ZINC100839792
Check stock
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Check stock on Vitas-MAvailable files
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