Vitas-M small molecule compound
6-[(6-{(1E)-1-[2-(thiophen-2-ylcarbonyl)hydrazinylidene]ethyl}-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK424448
SMILES O=C(C1CC=CCC1C(=O)O)Nc1cc2OCOc2cc1/C(=N/NC(=O)c1cccs1)/C
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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 C22H21N3O6S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O6S/c1-12(24-25-21(27)19-7-4-8-32-19)15-9-17-18(31-11-30-17)10-16(15)23-20(26)13-5-2-3-6-14(13)22(28)29/h2-4,7-10,13-14H,5-6,11H2,1H3,(H,23,26)(H,25,27)(H,28,29)/b24-12+InChIKey
MTHMHUYDVHLNOM-WYMPLXKRSA-NSynonyms
6((6((1E)1(2(thiophen2ylcarbonyl)hydrazinylidene)ethyl)13benzodioxol5yl)carbamoyl)cyclohex3ene1carboxylicacid
6((6((E)CmethylN(thiophene2carbonylamino)carbonimidoyl)13benzodioxol5yl)carbamoyl)cyclohex3ene1carboxylicacid
6(N(6((1E)1METHYL2(2THIENYLCARBONYLAMINO)2AZAVINYL)2HBENZO(D)13DIOXOLEN5YL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CC(=NNC(=O)C1=CC=CS1)C2=CC3=C(C=C2NC(=O)C4CC=CCC4C(=O)O)OCO3
InChI=1SC22H21N3O6Sc112(242521(27)197483219)1591718(31113017)1016(15)2320(26)13523614(13)22(28)29h247101314H5611H21H3(H2326)(H2527)(H2829)b2412+
MFCD02373728
O=C(C1CC=CCC1C(=O)O)Nc1cc2OCOc2cc1C(=NNC(=O)c1cccs1)C
ZINC000020159466
ZINC000020159473
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