Vitas-M small molecule compound
(2E)-4-oxo-4-[(6-{(1E)-1-[2-(thiophen-2-ylcarbonyl)hydrazinylidene]ethyl}-1,3-benzodioxol-5-yl)amino]but-2-enoic acid
Catalog ID
STK424446
SMILES O=C(Nc1cc2OCOc2cc1/C(=N/NC(=O)c1cccs1)/C)/C=C/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 C18H15N3O6S MW 401.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O6S/c1-10(20-21-18(25)15-3-2-6-28-15)11-7-13-14(27-9-26-13)8-12(11)19-16(22)4-5-17(23)24/h2-8H,9H2,1H3,(H,19,22)(H,21,25)(H,23,24)/b5-4+,20-10+InChIKey
ZZSPRTAEHUOREP-VKGNWJIDSA-NSynonyms
(2E)3(N(6((1E)1METHYL2(2THIENYLCARBONYLAMINO)2AZAVINYL)(2HBENZO(D)13DIOXOLEN5YL))CARBAMOYL)PROP2ENOICACID
(2E)4oxo4((6((1E)1(2(thiophen2ylcarbonyl)hydrazinylidene)ethyl)13benzodioxol5yl)amino)but2enoicacid
(E)4((6((E)CmethylN(thiophene2carbonylamino)carbonimidoyl)13benzodioxol5yl)amino)4oxobut2enoicacid
CC(=NNC(=O)C1=CC=CS1)C2=CC3=C(C=C2NC(=O)C=CC(=O)O)OCO3
InChI=1SC18H15N3O6Sc110(202118(25)153262815)1171314(2792613)812(11)1916(22)4517(23)24h28H9H21H3(H1922)(H2125)(H2324)b54+2010+
MFCD02373750
O=C(Nc1cc2OCOc2cc1C(=NNC(=O)c1cccs1)C)C=CC(=O)O
ZINC000005517015
ZINC33364363
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