Vitas-M small molecule compound

8-methyl-4-(3-nitrophenyl)-2-sulfanyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one

Catalog ID
STL576904
SMILES SC1=NC(n2c(N1)nc(C)cc2=O)c1cccc(c1)[N+](=O)[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 C13H11N5O3S MW 317.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N5O3S/c1-7-5-10(19)17-11(15-13(22)16-12(17)14-7)8-3-2-4-9(6-8)18(20)21/h2-6,11H,1H3,(H2,14,15,16,22)
InChIKey
AXGQKYMMXREFIP-UHFFFAOYSA-N
Synonyms

137552161
8methyl4(3nitrophenyl)2sulfanyl14dihydro6Hpyrimido(12a)(135)triazin6one
8methyl4(3nitrophenyl)2sulfanylidene34dihydro1Hpyrimido(12a)(135)triazin6one
InChI=1SC13H11N5O3Sc17510(19)1711(1513(22)1612(17)147)83249(68)18(20)21h2611H1H3(H214151622)
MFCD32650511
ZINC001740816358
ZINC001740816364

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Available files

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