Vitas-M small molecule compound
N-benzyl-2-{[(4-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK727620
SMILES O=C(c1c(sc2c1CCCC2)NC(=O)c1ccc(cc1)[N+](=O)[O-])NCc1ccccc1
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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 C23H21N3O4S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4S/c27-21(16-10-12-17(13-11-16)26(29)30)25-23-20(18-8-4-5-9-19(18)31-23)22(28)24-14-15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,24,28)(H,25,27)InChIKey
NDXRIRSIUQGIKJ-UHFFFAOYSA-NSynonyms
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)NCC4=CC=CC=C4
InChI=1SC23H21N3O4Sc2721(16101217(131116)26(29)30)252320(18845919(18)3123)22(28)2414156213715h13671013H458914H2(H2428)(H2527)
MFCD02302391
Nbenzyl2(((4nitrophenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxamide
Nbenzyl2((4nitrobenzoyl)amino)4567tetrahydro1benzothiophene3carboxamide
O=C(c1c(sc2c1CCCC2)NC(=O)c1ccc(cc1)(N+)(=O)(O))NCc1ccccc1
ZINC000000731945
ZINC00731945
ZINC731945
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