Vitas-M small molecule compound
1-{3-[(4-methylphenyl)carbonyl]imidazolidin-1-yl}-2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanone
Catalog ID
STK233199
SMILES Cc1ccc(cc1)C(=O)N1CCN(C1)C(=O)CSc1nc2c([nH]1)ccc(c2)[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 C20H19N5O4S MW 425.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O4S/c1-13-2-4-14(5-3-13)19(27)24-9-8-23(12-24)18(26)11-30-20-21-16-7-6-15(25(28)29)10-17(16)22-20/h2-7,10H,8-9,11-12H2,1H3,(H,21,22)InChIKey
YSHVTZMRCAQIDR-UHFFFAOYSA-NSynonyms
866818-96-41(3((4METHYLPHENYL)CARBONYL)IMIDAZOLIDIN1YL)2((5NITRO1HBENZIMIDAZOL2YL)SULFANYL)ETHANONE
1(3(4methylbenzoyl)imidazolidin1yl)2((6nitro1Hbenzimidazol2yl)sulfanyl)ethanone
866818964
CC1=CC=C(C=C1)C(=O)N2CCN(C2)C(=O)CSC3=NC4=C(N3)C=C(C=C4)(N+)(=O)(O)
Cc1ccc(cc1)C(=O)N1CCN(C1)C(=O)CSc1nc2c((nH)1)ccc(c2)(N+)(=O)(O)
InChI=1SC20H19N5O4Sc1132414(5313)19(27)249823(1224)18(26)11302021167615(25(28)29)1017(16)2220h2710H891112H21H3(H2122)
MFCD06067739
ZINC000009290311
ZINC09290311
ZINC9290311
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