Vitas-M small molecule compound
[(5Z)-4-oxo-5-({1-phenyl-3-[3-(piperidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK800535
SMILES OC(=O)CN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2)S(=O)(=O)N2CCCCC2)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 C26H24N4O5S3 MW 568.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O5S3/c31-23(32)17-29-25(33)22(37-26(29)36)15-19-16-30(20-9-3-1-4-10-20)27-24(19)18-8-7-11-21(14-18)38(34,35)28-12-5-2-6-13-28/h1,3-4,7-11,14-16H,2,5-6,12-13,17H2,(H,31,32)/b22-15-InChIKey
FABMXTJIPZWTIV-JCMHNJIXSA-NSynonyms
((5Z)4oxo5((1phenyl3(3(piperidin1ylsulfonyl)phenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin3yl)aceticacid
2((5Z)4OXO5((1PHENYL3(3PIPERIDIN1YLSULFONYLPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
C1CCN(CC1)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=1SC26H24N4O5S3c3123(32)172925(33)22(3726(29)36)15191630(2093141020)2724(19)18871121(1418)38(3435)28125261328h1347111416H256121317H2(H3132)b2215
MFCD06315187
OC(=O)CN1C(=S)SC(=Cc2cn(nc2c2cccc(c2)S(=O)(=O)N2CCCCC2)c2ccccc2)C1=O
ZINC000097946708
ZINC97946708
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