Vitas-M small molecule compound
2-{3-[(Z)-(4,6-dioxo-1-phenyl-3-propyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK198339
SMILES CCCN1C(=O)/C(=C/c2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)/C(=O)N(C1=S)c1ccccc1
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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 C29H28N4O2S2 MW 528.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O2S2/c1-4-14-31-26(34)23(27(35)33(29(31)36)21-10-6-5-7-11-21)16-20-15-18(2)32(19(20)3)28-24(17-30)22-12-8-9-13-25(22)37-28/h5-7,10-11,15-16H,4,8-9,12-14H2,1-3H3/b23-16-InChIKey
ZAFOOOXEALWISE-KQWNVCNZSA-NSynonyms
2(3((Z)(46dioxo1phenyl3propyl2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((Z)(46dioxo1phenyl3propyl2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
CCCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=C(C4=C(S3)CCCC4)C#N)C)C(=O)N(C1=S)C5=CC=CC=C5
CCCN1C(=O)C(=Cc2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)C(=O)N(C1=S)c1ccccc1
InChI=1SC29H28N4O2S2c14143126(34)23(27(35)33(29(31)36)21106571121)16201518(2)32(19(20)3)2824(1730)2212891325(22)3728h5710111516H4891214H213H3b2316
MFCD04589913
ZINC000097960923
ZINC97960923
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