Vitas-M small molecule compound
4-[(5Z)-5-{[3-(naphthalen-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK809689
SMILES OC(=O)CCCN1C(=S)S/C(=C\c2cn(nc2c2ccc3c(c2)cccc3)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 C27H21N3O3S2 MW 499.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O3S2/c31-24(32)11-6-14-29-26(33)23(35-27(29)34)16-21-17-30(22-9-2-1-3-10-22)28-25(21)20-13-12-18-7-4-5-8-19(18)15-20/h1-5,7-10,12-13,15-17H,6,11,14H2,(H,31,32)/b23-16-InChIKey
WCAKWOAKFAYWAY-KQWNVCNZSA-NSynonyms
4((5Z)5((3(naphthalen2yl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((3NAPHTHALEN2YL1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4C=C3)C=C5C(=O)N(C(=S)S5)CCCC(=O)O
InChI=1SC27H21N3O3S2c3124(32)116142926(33)23(3527(29)34)16211730(2292131022)2825(21)20131218745819(18)1520h1571012131517H61114H2(H3132)b2316
MFCD03461441
OC(=O)CCCN1C(=S)SC(=Cc2cn(nc2c2ccc3c(c2)cccc3)c2ccccc2)C1=O
ZINC000002687939
ZINC2687939
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