Vitas-M small molecule compound
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N~3~-(5-nitropyridin-2-yl)-beta-alaninamide
Catalog ID
STK622696
SMILES O=C(NC1CCS(=O)(=O)C1)CCNc1ccc(cn1)[N+](=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 C12H16N4O5S MW 328.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N4O5S/c17-12(15-9-4-6-22(20,21)8-9)3-5-13-11-2-1-10(7-14-11)16(18)19/h1-2,7,9H,3-6,8H2,(H,13,14)(H,15,17)InChIKey
WDMCIDNJFMXKOC-UHFFFAOYSA-NSynonyms
951971-77-0951971770
C1CS(=O)(=O)CC1NC(=O)CCNC2=NC=C(C=C2)(N+)(=O)(O)
InChI=1SC12H16N4O5Sc1712(1594622(2021)89)3513112110(71411)16(18)19h1279H368H2(H1314)(H1517)
MFCD09858361
N(11dioxidotetrahydrothiophen3yl)3((5nitropyridin2yl)amino)propanamide
N(11dioxidotetrahydrothiophen3yl)N~3~(5nitropyridin2yl)betaalaninamide
N(11DIOXIDOTETRAHYDROTHIOPHEN3YL)N3(5NITROPYRIDIN2YL)BETAALANINAMIDE
N(11dioxothiolan3yl)3((5nitropyridin2yl)amino)propanamide
O=C(NC1CCS(=O)(=O)C1)CCNc1ccc(cn1)(N+)(=O)(O)
ZINC000013733810
ZINC000013733813
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