Vitas-M small molecule compound
3-[(5Z)-5-({3-[3-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STK706908
SMILES OC(=O)CCN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2)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 C29H23N3O4S2 MW 541.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O4S2/c33-26(34)14-15-31-28(35)25(38-29(31)37)17-22-18-32(23-11-5-2-6-12-23)30-27(22)21-10-7-13-24(16-21)36-19-20-8-3-1-4-9-20/h1-13,16-18H,14-15,19H2,(H,33,34)/b25-17-InChIKey
ONAPTVCMZBLGKT-UQQQWYQISA-NSynonyms
1009437-79-9(Z)3(5((3(3(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)4oxo2thioxothiazolidin3yl)propanoicacid
1009437799
3((5Z)4OXO5((1PHENYL3(3PHENYLMETHOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
3((5Z)5((3(3(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=NN(C=C3C=C4C(=O)N(C(=S)S4)CCC(=O)O)C5=CC=CC=C5
InChI=1SC29H23N3O4S2c3326(34)14153128(35)25(3829(31)37)17221832(23115261223)3027(22)211071324(1621)3619208314920h1131618H141519H2(H3334)b2517
MFCD04021417
OC(=O)CCN1C(=S)SC(=Cc2cn(nc2c2cccc(c2)OCc2ccccc2)c2ccccc2)C1=O
ZINC000101062616
ZINC101062616
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.