Vitas-M small molecule compound
(3-chloro-1-benzothiophen-2-yl){4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}methanone
Catalog ID
STK205998
SMILES Cc1cc(n(n1)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)c1sc2c(c1Cl)cccc2)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 C24H22ClN5O3S MW 495.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN5O3S/c1-15-13-16(2)29(26-15)20-14-17(7-8-19(20)30(32)33)27-9-11-28(12-10-27)24(31)23-22(25)18-5-3-4-6-21(18)34-23/h3-8,13-14H,9-12H2,1-2H3InChIKey
WVINHNIEBSEPBO-UHFFFAOYSA-NSynonyms
(3CHLORO1BENZOTHIOPHEN2YL)(4(3(35DIMETHYL1HPYRAZOL1YL)4NITROPHENYL)PIPERAZIN1YL)METHANONE
(3CHLORO1BENZOTHIOPHEN2YL)(4(3(35DIMETHYLPYRAZOL1YL)4NITROPHENYL)PIPERAZIN1YL)METHANONE
CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=C(C5=CC=CC=C5S4)Cl)(N+)(=O)(O))C
Cc1cc(n(n1)c1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)c1sc2c(c1Cl)cccc2)C
InChI=1SC24H22ClN5O3Sc1151316(2)29(2615)201417(7819(20)30(32)33)2791128(121027)24(31)2322(25)18534621(18)3423h381314H912H212H3
MFCD06182154
ZINC000009971795
ZINC09971795
ZINC9971795
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