Vitas-M small molecule compound
11-[(5Z)-5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid
Catalog ID
STK810734
SMILES CCCCOc1ccc(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 C34H41N3O4S2 MW 619.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H41N3O4S2/c1-2-3-23-41-29-20-18-26(19-21-29)32-27(25-37(35-32)28-15-11-10-12-16-28)24-30-33(40)36(34(42)43-30)22-14-9-7-5-4-6-8-13-17-31(38)39/h10-12,15-16,18-21,24-25H,2-9,13-14,17,22-23H2,1H3,(H,38,39)/b30-24-InChIKey
STDGAYCAMRMQKC-KRUMMXJUSA-NSynonyms
11((5Z)5((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5((3(4BUTOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C4=CC=CC=C4
CCCCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CCCCCCCCCCC(=O)O)c1ccccc1
InChI=1SC34H41N3O4S2c123234129201826(192129)3227(2537(3532)28151110121628)243033(40)36(34(42)4330)2214975468131731(38)39h1012151618212425H291314172223H21H3(H3839)b3024
MFCD03933028
ZINC000100840484
ZINC100840484
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