Vitas-M small molecule compound
(2E)-4-{4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}-4-oxobut-2-enoic acid
Catalog ID
STK467344
SMILES OC(=O)/C=C/C(=O)N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=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 C17H14ClN3O6S MW 423.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN3O6S/c18-15-11-2-1-10(21(26)27)9-12(11)28-16(15)17(25)20-7-5-19(6-8-20)13(22)3-4-14(23)24/h1-4,9H,5-8H2,(H,23,24)/b4-3+InChIKey
KUAURMNKNUGBDA-ONEGZZNKSA-NSynonyms
(2E)4(4((3chloro6nitro1benzothiophen2yl)carbonyl)piperazin1yl)4oxobut2enoicacid
(E)4(4(3chloro6nitro1benzothiophene2carbonyl)piperazin1yl)4oxobut2enoicacid
C1CN(CCN1C(=O)C=CC(=O)O)C(=O)C2=C(C3=C(S2)C=C(C=C3)(N+)(=O)(O))Cl
InChI=1SC17H14ClN3O6Sc1815112110(21(26)27)912(11)2816(15)17(25)207519(6820)13(22)3414(23)24h149H58H2(H2324)b43+
MFCD07057850
OC(=O)C=CC(=O)N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O)
ZINC000017093710
ZINC17093710
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