Vitas-M small molecule compound
2-{3-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK187176
SMILES N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)N(C)C(=S)N(C1=O)C
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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 C22H22N4O2S2 MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S2/c1-12-9-14(10-16-19(27)24(3)22(29)25(4)20(16)28)13(2)26(12)21-17(11-23)15-7-5-6-8-18(15)30-21/h9-10H,5-8H2,1-4H3InChIKey
HCFKUJNQNIJULV-UHFFFAOYSA-NSynonyms
2(3((13dimethyl46dioxo2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((13dimethyl46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C4C(=O)N(C(=S)N(C4=O)C)C
InChI=1SC22H22N4O2S2c112914(101619(27)24(3)22(29)25(4)20(16)28)13(2)26(12)2117(1123)15756818(15)3021h910H58H214H3
MFCD02602890
ZINC000009311470
ZINC09311470
ZINC9311470
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