Vitas-M small molecule compound
2-(3-{(E)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK177651
SMILES C#CCN1C(=O)S/C(=C/c2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)/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 C22H19N3O2S2 MW 421.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O2S2/c1-4-9-24-20(26)19(29-22(24)27)11-15-10-13(2)25(14(15)3)21-17(12-23)16-7-5-6-8-18(16)28-21/h1,10-11H,5-9H2,2-3H3/b19-11+InChIKey
DKOGSIZCTXWAMX-YBFXNURJSA-NSynonyms
2(3((E)(24dioxo3(prop2yn1yl)13thiazolidin5ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((E)(24dioxo3prop2ynyl13thiazolidin5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
C#CCN1C(=O)SC(=Cc2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)C1=O
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C4C(=O)N(C(=O)S4)CC#C
InChI=1SC22H19N3O2S2c1492420(26)19(2922(24)27)11151013(2)25(14(15)3)2117(1223)16756818(16)2821h11011H59H223H3b1911+
MFCD03728215
ZINC000009260831
ZINC09260831
ZINC9260831
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