Vitas-M small molecule compound
3-hydroxy-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK516168
SMILES COc1cccc2c1oc(c2)C(=O)C1=C(O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1nnc(s1)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 C23H16N4O7S MW 492.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N4O7S/c1-11-24-25-23(35-11)26-18(12-5-3-7-14(9-12)27(31)32)17(20(29)22(26)30)19(28)16-10-13-6-4-8-15(33-2)21(13)34-16/h3-10,18,29H,1-2H3InChIKey
KGSBBCLDECLNNG-UHFFFAOYSA-NSynonyms
623535-77-33hydroxy4((7methoxy1benzofuran2yl)carbonyl)1(5methyl134thiadiazol2yl)5(3nitrophenyl)15dihydro2Hpyrrol2one
4HYDROXY3(7METHOXY1BENZOFURAN2CARBONYL)1(5METHYL134THIADIAZOL2YL)2(3NITROPHENYL)2HPYRROL5ONE
623535773
CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=C(O3)C(=CC=C4)OC)C5=CC(=CC=C5)(N+)(=O)(O)
COc1cccc2c1oc(c2)C(=O)C1=C(O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))c1nnc(s1)C
InChI=1SC23H16N4O7Sc111242523(3511)2618(1253714(912)27(31)32)17(20(29)22(26)30)19(28)16101364815(332)21(13)3416h3101829H12H3
MFCD04547508
ZINC000006460037
ZINC000006460042
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