Vitas-M small molecule compound
5-{4-[(4-tert-butylphenyl)sulfonyl]piperazin-1-yl}-1,3-dimethyl-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STK195986
SMILES [O-][N+](=O)c1cc2c(cc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)n(c(=O)n2C)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 C23H29N5O5S MW 487.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N5O5S/c1-23(2,3)16-6-8-17(9-7-16)34(32,33)27-12-10-26(11-13-27)20-14-18-19(15-21(20)28(30)31)25(5)22(29)24(18)4/h6-9,14-15H,10-13H2,1-5H3InChIKey
UZWGJDLCABKUNQ-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc2c(cc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)n(c(=O)n2C)C
5(4((4TERTBUTYLPHENYL)SULFONYL)1PIPERAZINYL)13DIMETHYL6NITRO13DIHYDRO2HBENZIMIDAZOL2ONE
5(4((4TERTBUTYLPHENYL)SULFONYL)PIPERAZIN1YL)13DIMETHYL6NITRO13DIHYDRO2HBENZIMIDAZOL2ONE
5(4(4TERTBUTYLPHENYL)SULFONYLPIPERAZIN1YL)13DIMETHYL6NITROBENZIMIDAZOL2ONE
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C(=O)N4C)C)(N+)(=O)(O)
InChI=1SC23H29N5O5Sc123(23)166817(9716)34(3233)27121026(111327)20141819(1521(20)28(30)31)25(5)22(29)24(18)4h691415H1013H215H3
MFCD06005885
ZINC000008657719
ZINC08657719
ZINC8657719
Check stock
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Check stock on Vitas-MAvailable files
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