Vitas-M small molecule compound
3-({4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}carbonyl)bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK467182
SMILES OC(=O)C1C2CCC(C1C(=O)N1CCN(CC1)C(=O)c1sc3c(c1Cl)ccc(c3)[N+](=O)[O-])CC2
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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 C23H24ClN3O6S MW 505.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClN3O6S/c24-19-15-6-5-14(27(32)33)11-16(15)34-20(19)22(29)26-9-7-25(8-10-26)21(28)17-12-1-3-13(4-2-12)18(17)23(30)31/h5-6,11-13,17-18H,1-4,7-10H2,(H,30,31)InChIKey
QBRKNVSDOPSOBK-UHFFFAOYSA-NSynonyms
2(4(3chloro6nitro1benzothiophene2carbonyl)piperazine1carbonyl)bicyclo(222)octane3carboxylicacid
3((4((3chloro6nitro1benzothiophen2yl)carbonyl)piperazin1yl)carbonyl)bicyclo(222)octane2carboxylicacid
3((4((3CHLORO6NITROBENZO(B)THIOPHEN2YL)CARBONYL)PIPERAZINYL)CARBONYL)BICYCLO(222)OCTANE2CARBOXYLICACID
C1CC2CCC1C(C2C(=O)O)C(=O)N3CCN(CC3)C(=O)C4=C(C5=C(S4)C=C(C=C5)(N+)(=O)(O))Cl
InChI=1SC23H24ClN3O6Sc2419156514(27(32)33)1116(15)3420(19)22(29)269725(81026)21(28)17121313(4212)18(17)23(30)31h5611131718H14710H2(H3031)
MFCD06066539
OC(=O)C1C2CCC(C1C(=O)N1CCN(CC1)C(=O)c1sc3c(c1Cl)ccc(c3)(N+)(=O)(O))CC2
ZINC000020494206
ZINC000020494213
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