Vitas-M small molecule compound
(2E)-4-{[4-(azepan-1-ylsulfonyl)phenyl]amino}-4-oxobut-2-enoic acid
Catalog ID
STK060826
SMILES O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)/C=C/C(=O)O
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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 C16H20N2O5S MW 352.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O5S/c19-15(9-10-16(20)21)17-13-5-7-14(8-6-13)24(22,23)18-11-3-1-2-4-12-18/h5-10H,1-4,11-12H2,(H,17,19)(H,20,21)/b10-9+InChIKey
NRXISUURFNFNDA-MDZDMXLPSA-NSynonyms
314284-80-5(2E)4((4(AZEPAN1YLSULFONYL)PHENYL)AMINO)4OXOBUT2ENOICACID
(E)4(4(AZEPAN1YLSULFONYL)ANILINO)4OXOBUT2ENOICACID
3(4(AZEPANE1SULFONYL)PHENYLCARBAMOYL)ACRYLICACID
314284805
4(4(1AZEPANYLSULFONYL)ANILINO)4OXO2BUTENOICACID
C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC(=O)O
InChI=1SC16H20N2O5Sc1915(91016(20)21)17135714(8613)24(2223)181131241218h510H141112H2(H1719)(H2021)b109+
MFCD01596568
O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)C=CC(=O)O
STK060826
ZINC000000850264
ZINC850264
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