Vitas-M small molecule compound
4-ethoxy-3-nitro-N-{[2-(pyrrolidin-1-yl)phenyl]carbamothioyl}benzamide
Catalog ID
STK248195
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccccc1N1CCCC1
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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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c1-2-28-18-10-9-14(13-17(18)24(26)27)19(25)22-20(29)21-15-7-3-4-8-16(15)23-11-5-6-12-23/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H2,21,22,25,29)InChIKey
SUHHHOZCDXEAQU-UHFFFAOYSA-NSynonyms
4ethoxy3nitroN((2(pyrrolidin1yl)phenyl)carbamothioyl)benzamide
4ETHOXY3NITRON((2PYRROLIDIN1YLPHENYL)CARBAMOTHIOYL)BENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccccc1N1CCCC1
InChI=1SC20H22N4O4Sc12281810914(1317(18)24(26)27)19(25)2220(29)2115734816(15)2311561223h3471013H2561112H21H3(H221222529)
MFCD03569651
ZINC000001129647
ZINC01129647
ZINC1129647
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