Vitas-M small molecule compound
methyl 4-methyl-3-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STL101949
SMILES COC(=O)c1ccc(c(c1)NC(=O)CSCc1ccc(cc1)[N+](=O)[O-])C
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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 C18H18N2O5S MW 374.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O5S/c1-12-3-6-14(18(22)25-2)9-16(12)19-17(21)11-26-10-13-4-7-15(8-5-13)20(23)24/h3-9H,10-11H2,1-2H3,(H,19,21)InChIKey
YXNXHRNDYGHOLH-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC2=CC=C(C=C2)(N+)(=O)(O)
COC(=O)c1ccc(c(c1)NC(=O)CSCc1ccc(cc1)(N+)(=O)(O))C
InChI=1SC18H18N2O5Sc1123614(18(22)252)916(12)1917(21)112610134715(8513)20(23)24h39H1011H212H3(H1921)
METHYL3((((4NITROBENZYL)SULFANYL)ACETYL)AMINO)4METHYLBENZOATE
methyl4methyl3((((4nitrobenzyl)sulfanyl)acetyl)amino)benzoate
METHYL4METHYL3((2((4NITROPHENYL)METHYLSULFANYL)ACETYL)AMINO)BENZOATE
MFCD03232016
ZINC000000980255
ZINC00980255
ZINC980255
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