Vitas-M small molecule compound
11-[(5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid
Catalog ID
STK823843
SMILES OC(=O)CCCCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2)c2ccccc2)/C1=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 C37H39N3O4S2 MW 653.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H39N3O4S2/c41-34(42)19-13-5-3-1-2-4-6-14-24-39-36(43)33(46-37(39)45)25-30-26-40(31-17-11-8-12-18-31)38-35(30)29-20-22-32(23-21-29)44-27-28-15-9-7-10-16-28/h7-12,15-18,20-23,25-26H,1-6,13-14,19,24,27H2,(H,41,42)/b33-25-InChIKey
ACWZSGBAVGBSKB-IVQJCJPDSA-NSynonyms
11((5Z)4OXO5((1PHENYL3(4PHENYLMETHOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
11((5Z)5((3(4(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(C=C3C=C4C(=O)N(C(=S)S4)CCCCCCCCCCC(=O)O)C5=CC=CC=C5
InChI=1SC37H39N3O4S2c4134(42)191353124614243936(43)33(4637(39)45)25302640(3117118121831)3835(30)29202232(232129)4427281597101628h712151820232526H161314192427H2(H4142)b3325
MFCD06275628
OC(=O)CCCCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2)c2ccccc2)C1=O
ZINC000097947200
ZINC97947200
Check stock
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