Vitas-M small molecule compound

N,N-diethyl-3-(4-{(Z)-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)benzenesulfonamide

Catalog ID
STK904624
SMILES CCN(S(=O)(=O)c1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(C)C)c1ccccc1)CC

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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 C26H28N4O3S3 MW 540.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O3S3/c1-5-28(6-2)36(32,33)22-14-10-11-19(15-22)24-20(17-29(27-24)21-12-8-7-9-13-21)16-23-25(31)30(18(3)4)26(34)35-23/h7-18H,5-6H2,1-4H3/b23-16-
InChIKey
PEOIKFZJQMJEAT-KQWNVCNZSA-N
Synonyms
1001784-45-7
(Z)NNdiethyl3(4((3isopropyl4oxo2thioxothiazolidin5ylidene)methyl)1phenyl1Hpyrazol3yl)benzenesulfonamide
1001784457
CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C(C)C)C4=CC=CC=C4
CCN(S(=O)(=O)c1cccc(c1)c1nn(cc1C=C1SC(=S)N(C1=O)C(C)C)c1ccccc1)CC
InChI=1SC26H28N4O3S3c1528(62)36(3233)2214101119(1522)2420(1729(2724)21128791321)162325(31)30(18(3)4)26(34)3523h718H56H214H3b2316
MFCD04157987
NNdiethyl3(4((Z)(4oxo3(propan2yl)2thioxo13thiazolidin5ylidene)methyl)1phenyl1Hpyrazol3yl)benzenesulfonamide
NNDIETHYL3(4((Z)(4OXO3PROPAN2YL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)1PHENYLPYRAZOL3YL)BENZENESULFONAMIDE
ZINC000101096682
ZINC101096682

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.