Vitas-M small molecule compound
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-4-nitrobenzamide
Catalog ID
STK705964
SMILES CCc1ccc(cc1)CN(C(=O)c1ccc(cc1)[N+](=O)[O-])C1CCS(=O)(=O)C1
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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 C20H22N2O5S MW 402.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O5S/c1-2-15-3-5-16(6-4-15)13-21(19-11-12-28(26,27)14-19)20(23)17-7-9-18(10-8-17)22(24)25/h3-10,19H,2,11-14H2,1H3InChIKey
HDQUDSRSIYLPSC-UHFFFAOYSA-NSynonyms
620563-02-2620563022
CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=C(C=C3)(N+)(=O)(O)
CCc1ccc(cc1)CN(C(=O)c1ccc(cc1)(N+)(=O)(O))C1CCS(=O)(=O)C1
InChI=1SC20H22N2O5Sc12153516(6415)1321(19111228(2627)1419)20(23)177918(10817)22(24)25h31019H21114H21H3
MFCD04015847
N(11dioxidotetrahydrothiophen3yl)N(4ethylbenzyl)4nitrobenzamide
N(11DIOXOTHIOLAN3YL)N((4ETHYLPHENYL)METHYL)4NITROBENZAMIDE
ZINC000005046865
ZINC000005046866
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