Vitas-M small molecule compound
4-methoxy-N-({3-methoxy-4-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-3-nitrobenzamide
Catalog ID
STK234468
SMILES COc1cc(ccc1NC(=O)C(C)C)NC(=S)NC(=O)c1ccc(c(c1)[N+](=O)[O-])OC
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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 C20H22N4O6S MW 446.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O6S/c1-11(2)18(25)22-14-7-6-13(10-17(14)30-4)21-20(31)23-19(26)12-5-8-16(29-3)15(9-12)24(27)28/h5-11H,1-4H3,(H,22,25)(H2,21,23,26,31)InChIKey
HUSPLRKQWMBUKX-UHFFFAOYSA-NSynonyms
4methoxyN((3methoxy4((2methylpropanoyl)amino)phenyl)carbamothioyl)3nitrobenzamide
4METHOXYN((3METHOXY4(2METHYLPROPANOYLAMINO)PHENYL)CARBAMOTHIOYL)3NITROBENZAMIDE
CC(C)C(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)(N+)(=O)(O))OC
COc1cc(ccc1NC(=O)C(C)C)NC(=S)NC(=O)c1ccc(c(c1)(N+)(=O)(O))OC
InChI=1SC20H22N4O6Sc111(2)18(25)22147613(1017(14)304)2120(31)2319(26)125816(293)15(912)24(27)28h511H14H3(H2225)(H221232631)
MFCD03909317
ZINC000002840441
ZINC02840441
ZINC2840441
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