Vitas-M small molecule compound
4-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-3-nitrobenzamide
Catalog ID
STK705876
SMILES CCc1ccc(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 C20H21ClN2O5S MW 436.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O5S/c1-2-14-3-5-15(6-4-14)12-22(17-9-10-29(27,28)13-17)20(24)16-7-8-18(21)19(11-16)23(25)26/h3-8,11,17H,2,9-10,12-13H2,1H3InChIKey
VNDFNMUVVIXRHY-UHFFFAOYSA-NSynonyms
573936-87-54chloroN(11dioxidotetrahydrothiophen3yl)N(4ethylbenzyl)3nitrobenzamide
4CHLORON(11DIOXOTHIOLAN3YL)N((4ETHYLPHENYL)METHYL)3NITROBENZAMIDE
573936875
CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
CCc1ccc(cc1)CN(C(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)C1CCS(=O)(=O)C1
InChI=1SC20H21ClN2O5Sc12143515(6414)1222(1791029(2728)1317)20(24)167818(21)19(1116)23(25)26h381117H29101213H21H3
MFCD04020172
ZINC000009357410
ZINC000009357412
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