Vitas-M small molecule compound

4-[(2Z)-1,3-benzothiazol-2(3H)-ylideneamino]-2-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-oxobutanoic acid

Catalog ID
STL242469
SMILES OCCN1CCN(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 C18H24N4O4S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N4O4S/c23-10-9-21-5-7-22(8-6-21)12-13(17(25)26)11-16(24)20-18-19-14-3-1-2-4-15(14)27-18/h1-4,13,23H,5-12H2,(H,25,26)(H,19,20,24)
InChIKey
WSTHTHLRILBEPU-UHFFFAOYSA-N
Synonyms
1374537-19-5
1374537195
4((2Z)13benzothiazol2(3H)ylideneamino)2((4(2hydroxyethyl)piperazin1yl)methyl)4oxobutanoicacid
4(13benzothiazol2ylamino)2((4(2hydroxyethyl)piperazin1yl)methyl)4oxobutanoicacid
C1CN(CCN1CCO)CC(CC(=O)NC2=NC3=CC=CC=C3S2)C(=O)O
InChI=1SC18H24N4O4Sc23109215722(8621)1213(17(25)26)1116(24)20181914312415(14)2718h141323H512H2(H2526)(H192024)
MFCD24859300
OCCN1CCN(CC1)CC(C(=O)O)CC(=O)N=c1sc2c((nH)1)cccc2
ZINC000072405685
ZINC000072405686

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Available files

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