Vitas-M small molecule compound
2-(3-{(E)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK188241
SMILES C=CCN1C(=S)NC(=O)/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 C23H22N4O2S2 MW 450.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O2S2/c1-4-9-26-21(29)17(20(28)25-23(26)30)11-15-10-13(2)27(14(15)3)22-18(12-24)16-7-5-6-8-19(16)31-22/h4,10-11H,1,5-9H2,2-3H3,(H,25,28,30)/b17-11+InChIKey
FEQRDHALABULQG-GZTJUZNOSA-NSynonyms
2(3((E)(46dioxo1(prop2en1yl)2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((E)(46dioxo1prop2enyl2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
C=CCN1C(=S)NC(=O)C(=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)NC(=S)N(C4=O)CC=C
InChI=1SC23H22N4O2S2c1492621(29)17(20(28)2523(26)30)11151013(2)27(14(15)3)2218(1224)16756819(16)3122h41011H159H223H3(H252830)b1711+
MFCD02954995
ZINC000000635649
ZINC00635649
ZINC635649
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