Vitas-M small molecule compound
4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[(3-methylthiophen-2-yl)methyl]-3-nitrobenzamide
Catalog ID
STK882356
SMILES O=C(N(C1CCS(=O)(=O)C1)Cc1sccc1C)c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C17H17ClN2O5S2 MW 428.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN2O5S2/c1-11-4-6-26-16(11)9-19(13-5-7-27(24,25)10-13)17(21)12-2-3-14(18)15(8-12)20(22)23/h2-4,6,8,13H,5,7,9-10H2,1H3InChIKey
BHYGRPGBHVPMLJ-UHFFFAOYSA-NSynonyms
4chloroN(11dioxidotetrahydrothiophen3yl)N((3methylthiophen2yl)methyl)3nitrobenzamide
4chloroN(11dioxothiolan3yl)N((3methylthiophen2yl)methyl)3nitrobenzamide
CC1=C(SC=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC17H17ClN2O5S2c111462616(11)919(135727(2425)1013)17(21)122314(18)15(812)20(22)23h246813H57910H21H3
MFCD06646145
O=C(N(C1CCS(=O)(=O)C1)Cc1sccc1C)c1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000016742569
ZINC000016742570
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