Vitas-M small molecule compound
5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK101507
SMILES COc1cc2OCOc2cc1C=C1C(=O)NC(=S)NC1=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 C13H10N2O5S MW 306.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10N2O5S/c1-18-8-4-10-9(19-5-20-10)3-6(8)2-7-11(16)14-13(21)15-12(7)17/h2-4H,5H2,1H3,(H2,14,15,16,17,21)InChIKey
CNDXPUJTLSBQGA-UHFFFAOYSA-NSynonyms
5((6METHOXY13BENZODIOXOL5YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5((6METHOXY13BENZODIOXOL5YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=CC2=C(C=C1C=C3C(=O)NC(=S)NC3=O)OCO2
InChI=1SC13H10N2O5Sc11884109(1952010)36(8)2711(16)1413(21)1512(7)17h24H5H21H3(H21415161721)
MFCD03994371
ZINC000000465389
ZINC00465389
ZINC465389
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