Vitas-M small molecule compound
N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
Catalog ID
STK398759
SMILES S=C(Nc1cccc2c1ccc(c2)O)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
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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 C22H20N4O4S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4S/c27-16-7-8-17-14(12-16)4-3-5-18(17)23-22(31)24-21(28)15-6-9-19(20(13-15)26(29)30)25-10-1-2-11-25/h3-9,12-13,27H,1-2,10-11H2,(H2,23,24,28,31)InChIKey
CKAUGEYJURFKCN-UHFFFAOYSA-NSynonyms
C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC4=C3C=CC(=C4)O)(N+)(=O)(O)
InChI=1SC22H20N4O4Sc2716781714(1216)43518(17)2322(31)2421(28)156919(20(1315)26(29)30)2510121125h39121327H121011H2(H223242831)
MFCD05832473
N((6hydroxynaphthalen1yl)carbamothioyl)3nitro4(pyrrolidin1yl)benzamide
N((6HYDROXYNAPHTHALEN1YL)CARBAMOTHIOYL)3NITRO4PYRROLIDIN1YLBENZAMIDE
S=C(Nc1cccc2c1ccc(c2)O)NC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCCC1
ZINC000016400962
ZINC16400962
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