Vitas-M small molecule compound
3-nitro-N-{[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl}benzamide
Catalog ID
STK252091
SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1)NC(=S)NC(=O)c1cccc(c1)[N+](=O)[O-]
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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 C21H23N5O4S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O4S/c1-2-19(27)25-12-10-24(11-13-25)17-8-6-16(7-9-17)22-21(31)23-20(28)15-4-3-5-18(14-15)26(29)30/h3-9,14H,2,10-13H2,1H3,(H2,22,23,28,31)InChIKey
FTWPVBNVPVUADK-UHFFFAOYSA-NSynonyms
1(3NITROBENZOYL)3(4(4PROPIONYLPIPERAZIN1YL)PHENYL)THIOUREA
3NITRON(((4(4PROPIONYL1PIPERAZINYL)PHENYL)AMINO)CARBONOTHIOYL)BENZAMIDE
3NITRON((4(4PROPANOYLPIPERAZIN1YL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
CCC(=O)N1CCN(CC1)c1ccc(cc1)NC(=S)NC(=O)c1cccc(c1)(N+)(=O)(O)
CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC21H23N5O4Sc1219(27)25121024(111325)178616(7917)2221(31)2320(28)1543518(1415)26(29)30h3914H21013H21H3(H222232831)
MFCD03650224
ZINC000004121718
ZINC04121718
ZINC4121718
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