Vitas-M small molecule compound
[(5Z)-4-oxo-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK904184
SMILES OC(=O)CN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2)S(=O)(=O)N2CCCC2)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 C25H22N4O5S3 MW 554.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O5S3/c30-22(31)16-28-24(32)21(36-25(28)35)14-18-15-29(19-8-2-1-3-9-19)26-23(18)17-7-6-10-20(13-17)37(33,34)27-11-4-5-12-27/h1-3,6-10,13-15H,4-5,11-12,16H2,(H,30,31)/b21-14-InChIKey
RGKYMALBZMHHJV-STZFKDTASA-NSynonyms
((5Z)4oxo5((1phenyl3(3(pyrrolidin1ylsulfonyl)phenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin3yl)aceticacid
(Z)2(4oxo5((1phenyl3(3(pyrrolidin1ylsulfonyl)phenyl)1Hpyrazol4yl)methylene)2thioxothiazolidin3yl)aceticacid
2((5Z)4OXO5((1PHENYL3(3PYRROLIDIN1YLSULFONYLPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C4C(=O)N(C(=S)S4)CC(=O)O)C5=CC=CC=C5
InChI=1SC25H22N4O5S3c3022(31)162824(32)21(3625(28)35)14181529(198213919)2623(18)17761020(1317)37(3334)2711451227h136101315H45111216H2(H3031)b2114
MFCD04175918
OC(=O)CN1C(=S)SC(=Cc2cn(nc2c2cccc(c2)S(=O)(=O)N2CCCC2)c2ccccc2)C1=O
ZINC000001899361
ZINC1899361
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.