Vitas-M small molecule compound

2-(2,5-dimethyl-3-{(E)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Catalog ID
STK154822
SMILES C=CCN1C(=S)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 C22H21N3OS3 MW 439.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3OS3/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/h4,10-11H,1,5-9H2,2-3H3/b19-11+
InChIKey
SPXVCTXEEQGIGY-YBFXNURJSA-N
Synonyms

2(25dimethyl3((E)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(25dimethyl3((E)(4oxo3prop2enyl2sulfanylidene13thiazolidin5ylidene)methyl)pyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
C=CCN1C(=S)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(=S)S4)CC=C
InChI=1SC22H21N3OS3c1492420(26)19(2922(24)27)11151013(2)25(14(15)3)2117(1223)16756818(16)2821h41011H159H223H3b1911+
MFCD05040921
ZINC000001186671
ZINC01186671
ZINC1186671

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Available files

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