Vitas-M small molecule compound
11-[(5Z)-4-oxo-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid
Catalog ID
STK822877
SMILES CCCOc1ccc(cc1)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/c1-2-22-40-28-19-17-25(18-20-28)31-26(24-36(34-31)27-14-10-9-11-15-27)23-29-32(39)35(33(41)42-29)21-13-8-6-4-3-5-7-12-16-30(37)38/h9-11,14-15,17-20,23-24H,2-8,12-13,16,21-22H2,1H3,(H,37,38)/b29-23-InChIKey
HDQYRXUSEMWDPI-FAJYDZGRSA-NSynonyms
11((5Z)4oxo5((1phenyl3(4propoxyphenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)4OXO5((1PHENYL3(4PROPOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C4=CC=CC=C4
CCCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CCCCCCCCCCC(=O)O)c1ccccc1
InChI=1SC33H39N3O4S2c12224028191725(182028)3126(2436(3431)2714109111527)232932(39)35(33(41)4229)2113864357121630(37)38h911141517202324H281213162122H21H3(H3738)b2923
MFCD03463464
ZINC000097947110
ZINC97947110
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