Vitas-M small molecule compound
(5E)-1-(3-methoxyphenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK713084
SMILES COc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2cc3OCOc3cc2[N+](=O)[O-])/C1=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 C19H13N3O7S MW 427.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N3O7S/c1-27-12-4-2-3-11(7-12)21-18(24)13(17(23)20-19(21)30)5-10-6-15-16(29-9-28-15)8-14(10)22(25)26/h2-8H,9H2,1H3,(H,20,23,30)/b13-5+InChIKey
VGZZJVJZTWQBMZ-WLRTZDKTSA-NSynonyms
(5E)1(3METHOXYPHENYL)5((6NITRO13BENZODIOXOL5YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(3methoxyphenyl)5((6nitro13benzodioxol5yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
COC1=CC=CC(=C1)N2C(=O)C(=CC3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)NC2=S
COc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cc3OCOc3cc2(N+)(=O)(O))C1=O
InChI=1SC19H13N3O7Sc1271242311(712)2118(24)13(17(23)2019(21)30)51061516(2992815)814(10)22(25)26h28H9H21H3(H202330)b135+
MFCD01909306
ZINC000002820540
ZINC2820540
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