Vitas-M small molecule compound
6-methyl-2-({[4-(morpholin-4-yl)-3-nitrophenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK180405
SMILES CC1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
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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 C21H24N4O5S MW 444.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O5S/c1-12-2-4-14-17(10-12)31-21(18(14)19(22)26)23-20(27)13-3-5-15(16(11-13)25(28)29)24-6-8-30-9-7-24/h3,5,11-12H,2,4,6-10H2,1H3,(H2,22,26)(H,23,27)InChIKey
LZTILCBZBYKABG-UHFFFAOYSA-NSynonyms
6methyl2(((4(morpholin4yl)3nitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxamide
6methyl2((4morpholin4yl3nitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxamide
CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)(N+)(=O)(O)
CC1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCOCC1
InChI=1SC21H24N4O5Sc112241417(1012)3121(18(14)19(22)26)2320(27)133515(16(1113)25(28)29)2468309724h351112H24610H21H3(H22226)(H2327)
MFCD06628438
ZINC000009672484
ZINC000009672485
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