Vitas-M small molecule compound
N-{[2-(butan-2-yl)phenyl]carbamothioyl}-4-ethoxy-3-nitrobenzamide
Catalog ID
STK209529
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccccc1C(CC)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 C20H23N3O4S MW 401.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O4S/c1-4-13(3)15-8-6-7-9-16(15)21-20(28)22-19(24)14-10-11-18(27-5-2)17(12-14)23(25)26/h6-13H,4-5H2,1-3H3,(H2,21,22,24,28)InChIKey
IKXPGMVTNBJQKD-UHFFFAOYSA-NSynonyms
CCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccccc1C(CC)C
InChI=1SC20H23N3O4Sc1413(3)15867916(15)2120(28)2219(24)14101118(2752)17(1214)23(25)26h613H45H213H3(H221222428)
MFCD03721304
N((2(BUTAN2YL)PHENYL)CARBAMOTHIOYL)4ETHOXY3NITROBENZAMIDE
N((2BUTAN2YLPHENYL)CARBAMOTHIOYL)4ETHOXY3NITROBENZAMIDE
ZINC000001130825
ZINC000001130827
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