Vitas-M small molecule compound

5,6-dimethyl-2-{[(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}thieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STL079712
SMILES S=c1[nH]nc(n1c1ccccc1)CSc1[nH]c(=O)c2c(n1)sc(c2C)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 C17H15N5OS3 MW 401.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N5OS3/c1-9-10(2)26-15-13(9)14(23)18-16(19-15)25-8-12-20-21-17(24)22(12)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,21,24)(H,18,19,23)
InChIKey
MDKPHABWUZYDEJ-UHFFFAOYSA-N
Synonyms
637326-96-6
56dimethyl2(((4phenyl5thioxo45dihydro1H124triazol3yl)methyl)sulfanyl)thieno(23d)pyrimidin4(3H)one
56DIMETHYL2(((4PHENYL5THIOXO45DIHYDRO1H124TRIAZOL3YL)METHYL)THIO)THIENO(23D)PYRIMIDIN4(3H)ONE
56DIMETHYL2((4PHENYL5SULFANYLIDENE1H124TRIAZOL3YL)METHYLSULFANYL)3HTHIENO(23D)PYRIMIDIN4ONE
56DIMETHYL2((4PHENYL5THIOXO(124TRIAZOLIN3YL))METHYLTHIO)3HYDROTHIOPHENO(23D)PYRIMIDIN4ONE
637326966
CC1=C(SC2=C1C(=O)NC(=N2)SCC3=NNC(=S)N3C4=CC=CC=C4)C
InChI=1SC17H15N5OS3c1910(2)261513(9)14(23)1816(1915)25812202117(24)22(12)116435711h37H8H212H3(H2124)(H181923)
MFCD04444701
S=c1(nH)nc(n1c1ccccc1)CSc1(nH)c(=O)c2c(n1)sc(c2C)C
ZINC000002671301
ZINC02671301
ZINC2671301

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Available files

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