Vitas-M small molecule compound
4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)-3-nitrobenzamide
Catalog ID
STK800435
SMILES COc1ccc(cc1)CN(C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)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 C19H19ClN2O6S MW 438.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN2O6S/c1-28-16-5-2-13(3-6-16)11-21(15-8-9-29(26,27)12-15)19(23)14-4-7-17(20)18(10-14)22(24)25/h2-7,10,15H,8-9,11-12H2,1H3InChIKey
FGVZXIXKJOHUSK-UHFFFAOYSA-NSynonyms
579442-88-94chloroN(11dioxidotetrahydrothiophen3yl)N(4methoxybenzyl)3nitrobenzamide
4CHLORON(11DIOXOTHIOLAN3YL)N((4METHOXYPHENYL)METHYL)3NITROBENZAMIDE
579442889
COC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
COc1ccc(cc1)CN(C(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)C1CCS(=O)(=O)C1
InChI=1SC19H19ClN2O6Sc128165213(3616)1121(158929(2627)1215)19(23)144717(20)18(1014)22(24)25h271015H891112H21H3
MFCD04032757
ZINC000009191179
ZINC000009357952
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