Vitas-M small molecule compound
5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187491
SMILES S=C1NC(=O)C(=Cc2cccn2C(C)(C)C)C(=O)N1
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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 C13H15N3O2S MW 277.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O2S/c1-13(2,3)16-6-4-5-8(16)7-9-10(17)14-12(19)15-11(9)18/h4-7H,1-3H3,(H2,14,15,17,18,19)InChIKey
QFIRHQLMBFEQEE-UHFFFAOYSA-NSynonyms
5((1TERTBUTYL1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((1TERTBUTYLPYRROL2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC(C)(C)N1C=CC=C1C=C2C(=O)NC(=S)NC2=O
InChI=1SC13H15N3O2Sc113(23)166458(16)7910(17)1412(19)1511(9)18h47H13H3(H21415171819)
MFCD03700137
ZINC000000199192
ZINC00199192
ZINC199192
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