Vitas-M small molecule compound
3-[(5Z)-4-oxo-5-({1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STK705435
SMILES OC(=O)CCN1C(=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 C26H24N4O5S3 MW 568.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O5S3/c31-23(32)11-14-29-25(33)22(37-26(29)36)16-19-17-30(20-8-2-1-3-9-20)27-24(19)18-7-6-10-21(15-18)38(34,35)28-12-4-5-13-28/h1-3,6-10,15-17H,4-5,11-14H2,(H,31,32)/b22-16-InChIKey
KNNFZTFAXPYTRS-JWGURIENSA-NSynonyms
3((5Z)4oxo5((1phenyl3(3(pyrrolidin1ylsulfonyl)phenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin3yl)propanoicacid
3((5Z)4OXO5((1PHENYL3(3PYRROLIDIN1YLSULFONYLPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C4C(=O)N(C(=S)S4)CCC(=O)O)C5=CC=CC=C5
InChI=1SC26H24N4O5S3c3123(32)11142925(33)22(3726(29)36)16191730(208213920)2724(19)18761021(1518)38(3435)2812451328h136101517H451114H2(H3132)b2216
MFCD04556517
OC(=O)CCN1C(=S)SC(=Cc2cn(nc2c2cccc(c2)S(=O)(=O)N2CCCC2)c2ccccc2)C1=O
ZINC000097946678
ZINC97946678
Check stock
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Check stock on Vitas-MAvailable files
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