Vitas-M small molecule compound
4-[(2Z)-1,3-benzothiazol-2(3H)-ylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-4-oxobutanoic acid
Catalog ID
STL251590
SMILES CN1CCN(CC1)CC(C(=O)O)CC(=O)/N=c/1\sc2c([nH]1)cccc2
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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 C17H22N4O3S MW 362.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O3S/c1-20-6-8-21(9-7-20)11-12(16(23)24)10-15(22)19-17-18-13-4-2-3-5-14(13)25-17/h2-5,12H,6-11H2,1H3,(H,23,24)(H,18,19,22)InChIKey
NCUPANJOUVHBLK-UHFFFAOYSA-NSynonyms
1374529-13-11374529131
4((2Z)13benzothiazol2(3H)ylideneamino)2((4methylpiperazin1yl)methyl)4oxobutanoicacid
4(13benzothiazol2ylamino)2((4methylpiperazin1yl)methyl)4oxobutanoicacid
CN1CCN(CC1)CC(C(=O)O)CC(=O)N=c1sc2c((nH)1)cccc2
CN1CCN(CC1)CC(CC(=O)NC2=NC3=CC=CC=C3S2)C(=O)O
InChI=1SC17H22N4O3Sc1206821(9720)1112(16(23)24)1015(22)19171813423514(13)2517h2512H611H21H3(H2324)(H181922)
MFCD24852702
ZINC000072404313
ZINC000072404314
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