Vitas-M small molecule compound
{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}(3-chloro-1-benzothiophen-2-yl)methanone
Catalog ID
STK205883
SMILES [O-][N+](=O)c1ccc(cc1NCc1ccccc1)N1CCN(CC1)C(=O)c1sc2c(c1Cl)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 C26H23ClN4O3S MW 507.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN4O3S/c27-24-20-8-4-5-9-23(20)35-25(24)26(32)30-14-12-29(13-15-30)19-10-11-22(31(33)34)21(16-19)28-17-18-6-2-1-3-7-18/h1-11,16,28H,12-15,17H2InChIKey
VDJPOGQHSDUCDW-UHFFFAOYSA-NSynonyms
(4(3(BENZYLAMINO)4NITROPHENYL)PIPERAZIN1YL)(3CHLORO1BENZOTHIOPHEN2YL)METHANONE
(O)(N+)(=O)c1ccc(cc1NCc1ccccc1)N1CCN(CC1)C(=O)c1sc2c(c1Cl)cccc2
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))NCC3=CC=CC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl
InChI=1SC26H23ClN4O3Sc272420845923(20)3525(24)26(32)30141229(131530)19101122(31(33)34)21(1619)2817186213718h1111628H121517H2
MFCD05838554
ZINC000009971676
ZINC09971676
ZINC9971676
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