Vitas-M small molecule compound
N-benzyl-5-{4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperazin-1-yl}-2-nitroaniline
Catalog ID
STK381906
SMILES Cc1nc2c(s1)cc(cc2)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[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 C25H25N5O4S2 MW 523.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O4S2/c1-18-27-22-9-8-21(16-25(22)35-18)36(33,34)29-13-11-28(12-14-29)20-7-10-24(30(31)32)23(15-20)26-17-19-5-3-2-4-6-19/h2-10,15-16,26H,11-14,17H2,1H3InChIKey
WMTUGFYGKWWEAB-UHFFFAOYSA-NSynonyms
2METHYL6((4(4NITRO3(BENZYLAMINO)PHENYL)PIPERAZINYL)SULFONYL)BENZOTHIAZOLE
CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=C(C=C4)(N+)(=O)(O))NCC5=CC=CC=C5
Cc1nc2c(s1)cc(cc2)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)(N+)(=O)(O)
InChI=1SC25H25N5O4S2c11827229821(1625(22)3518)36(3334)29131128(121429)2071024(30(31)32)23(1520)2617195324619h210151626H111417H21H3
MFCD02604472
Nbenzyl5(4((2methyl13benzothiazol6yl)sulfonyl)piperazin1yl)2nitroaniline
ZINC000004091930
ZINC04091930
ZINC4091930
Check stock
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Check stock on Vitas-MAvailable files
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