Vitas-M small molecule compound
3-[(5E)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-4,6-dioxo-2-thioxotetrahydropyrimidin-1(2H)-yl]benzoic acid
Catalog ID
STK202196
SMILES COc1cc2OCOc2cc1/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)C(=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 C20H14N2O7S MW 426.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N2O7S/c1-27-14-8-16-15(28-9-29-16)7-11(14)6-13-17(23)21-20(30)22(18(13)24)12-4-2-3-10(5-12)19(25)26/h2-8H,9H2,1H3,(H,25,26)(H,21,23,30)/b13-6+InChIKey
FMNWOWMCFBCYFH-AWNIVKPZSA-NSynonyms
3((5E)5((6METHOXY13BENZODIOXOL5YL)METHYLIDENE)46DIOXO2SULFANYLIDENE13DIAZINAN1YL)BENZOICACID
3((5E)5((6METHOXY13BENZODIOXOL5YL)METHYLIDENE)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN1(2H)YL)BENZOICACID
COC1=CC2=C(C=C1C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O)OCO2
COc1cc2OCOc2cc1C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)C(=O)O
InChI=1SC20H14N2O7Sc1271481615(2892916)711(14)61317(23)2120(30)22(18(13)24)1242310(512)19(25)26h28H9H21H3(H2526)(H212330)b136+
MFCD06666694
ZINC000012393144
ZINC12393144
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