Vitas-M small molecule compound
3-[(benzylsulfonyl)amino]-3-(2-chloro-5-nitrophenyl)propanoic acid
Catalog ID
STK683400
SMILES OC(=O)CC(c1cc(ccc1Cl)[N+](=O)[O-])NS(=O)(=O)Cc1ccccc1
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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 C16H15ClN2O6S MW 398.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClN2O6S/c17-14-7-6-12(19(22)23)8-13(14)15(9-16(20)21)18-26(24,25)10-11-4-2-1-3-5-11/h1-8,15,18H,9-10H2,(H,20,21)InChIKey
LXGWWTWJNYCXST-UHFFFAOYSA-NSynonyms
3((benzylsulfonyl)amino)3(2chloro5nitrophenyl)propanoicacid
3(BENZYLSULFONYLAMINO)3(2CHLORO5NITROPHENYL)PROPANOICACID
C1=CC=C(C=C1)CS(=O)(=O)NC(CC(=O)O)C2=C(C=CC(=C2)(N+)(=O)(O))Cl
InChI=1SC16H15ClN2O6Sc17147612(19(22)23)813(14)15(916(20)21)1826(2425)10114213511h181518H910H2(H2021)
MFCD05257706
OC(=O)CC(c1cc(ccc1Cl)(N+)(=O)(O))NS(=O)(=O)Cc1ccccc1
ZINC000004686941
ZINC000004686944
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