Vitas-M small molecule compound

4-oxo-4-[(6-{(1E)-1-[2-(thiophen-2-ylcarbonyl)hydrazinylidene]ethyl}-1,3-benzodioxol-5-yl)amino]butanoic acid

Catalog ID
STK424457
SMILES O=C(Nc1cc2OCOc2cc1/C(=N/NC(=O)c1cccs1)/C)CCC(=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 C18H17N3O6S MW 403.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O6S/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/h2-3,6-8H,4-5,9H2,1H3,(H,19,22)(H,21,25)(H,23,24)/b20-10+
InChIKey
XBZKCWCQLNRFKG-KEBDBYFISA-N
Synonyms

3(N(6((1E)1METHYL2(2THIENYLCARBONYLAMINO)2AZAVINYL)2HBENZO(D)13DIOXOLEN5YL)CARBAMOYL)PROPANOICACID
4((6((E)CmethylN(thiophene2carbonylamino)carbonimidoyl)13benzodioxol5yl)amino)4oxobutanoicacid
4oxo4((6((1E)1(2(thiophen2ylcarbonyl)hydrazinylidene)ethyl)13benzodioxol5yl)amino)butanoicacid
CC(=NNC(=O)C1=CC=CS1)C2=CC3=C(C=C2NC(=O)CCC(=O)O)OCO3
InChI=1SC18H17N3O6Sc110(202118(25)153262815)1171314(2792613)812(11)1916(22)4517(23)24h2368H459H21H3(H1922)(H2125)(H2324)b2010+
MFCD02373880
O=C(Nc1cc2OCOc2cc1C(=NNC(=O)c1cccs1)C)CCC(=O)O
ZINC000005517016
ZINC33734359

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Available files

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