Vitas-M small molecule compound
4-[(5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK823868
SMILES OC(=O)CCCN1C(=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 C30H25N3O4S2 MW 555.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O4S2/c34-27(35)12-7-17-32-29(36)26(39-30(32)38)18-23-19-33(24-10-5-2-6-11-24)31-28(23)22-13-15-25(16-14-22)37-20-21-8-3-1-4-9-21/h1-6,8-11,13-16,18-19H,7,12,17,20H2,(H,34,35)/b26-18-InChIKey
GUABKDBJTIGCSY-ITYLOYPMSA-NSynonyms
4((5Z)4OXO5((1PHENYL3(4PHENYLMETHOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
4((5Z)5((3(4(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(C=C3C=C4C(=O)N(C(=S)S4)CCCC(=O)O)C5=CC=CC=C5
InChI=1SC30H25N3O4S2c3427(35)127173229(36)26(3930(32)38)18231933(24105261124)3128(23)22131525(161422)3720218314921h1681113161819H7121720H2(H3435)b2618
MFCD06275623
OC(=O)CCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2)c2ccccc2)C1=O
ZINC000097947211
ZINC97947211
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