Vitas-M small molecule compound

5-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STL079531
SMILES Nc1cc(N)nc(n1)SCc1n[nH]c(=S)n1c1ccccc1

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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 C13H13N7S2 MW 331.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N7S2/c14-9-6-10(15)17-12(16-9)22-7-11-18-19-13(21)20(11)8-4-2-1-3-5-8/h1-6H,7H2,(H,19,21)(H4,14,15,16,17)
InChIKey
PVRNFDHTURBFTE-UHFFFAOYSA-N
Synonyms

3((46DIAMINOPYRIMIDIN2YL)SULFANYLMETHYL)4PHENYL1H124TRIAZOLE5THIONE
3((46DIAMINOPYRIMIDIN2YLTHIO)METHYL)4PHENYL124TRIAZOLINE5THIONE
5(((46diaminopyrimidin2yl)sulfanyl)methyl)4phenyl24dihydro3H124triazole3thione
C1=CC=C(C=C1)N2C(=NNC2=S)CSC3=NC(=CC(=N3)N)N
InChI=1SC13H13N7S2c149610(15)1712(169)22711181913(21)20(11)8421358h16H7H2(H1921)(H414151617)
MFCD05718951
Nc1cc(N)nc(n1)SCc1n(nH)c(=S)n1c1ccccc1
ZINC000002705128
ZINC2705128

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Available files

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