Vitas-M small molecule compound
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-4-[(4-nitrophenoxy)methyl]-1,2-oxazole-3-carboxamide
Catalog ID
STL175015
SMILES N#Cc1c(NC(=O)c2noc(c2COc2ccc(cc2)[N+](=O)[O-])C)sc2c1CCC2
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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 C20H16N4O5S MW 424.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O5S/c1-11-16(10-28-13-7-5-12(6-8-13)24(26)27)18(23-29-11)19(25)22-20-15(9-21)14-3-2-4-17(14)30-20/h5-8H,2-4,10H2,1H3,(H,22,25)InChIKey
BZKKAAWEHXQYMU-UHFFFAOYSA-NSynonyms
931996-63-3931996633
CC1=C(C(=NO1)C(=O)NC2=C(C3=C(S2)CCC3)C#N)COC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC20H16N4O5Sc11116(1028137512(6813)24(26)27)18(232911)19(25)222015(921)1432417(14)3020h58H2410H21H3(H2225)
MFCD08557403
N#Cc1c(NC(=O)c2noc(c2COc2ccc(cc2)(N+)(=O)(O))C)sc2c1CCC2
N(3cyano56dihydro4Hcyclopenta(b)thiophen2yl)5methyl4((4nitrophenoxy)methyl)12oxazole3carboxamide
ZINC000013641197
ZINC13641197
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