Vitas-M small molecule compound
ethyl 4-({[4-(4-nitrophenyl)piperazin-1-yl]carbonothioyl}amino)benzoate
Catalog ID
STK456350
SMILES CCOC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)c1ccc(cc1)[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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c1-2-28-19(25)15-3-5-16(6-4-15)21-20(29)23-13-11-22(12-14-23)17-7-9-18(10-8-17)24(26)27/h3-10H,2,11-14H2,1H3,(H,21,29)InChIKey
KQXAKFRDMKXFEE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
ethyl4(((4(4nitrophenyl)piperazin1yl)carbonothioyl)amino)benzoate
ETHYL4(((4(4NITROPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)BENZOATE
ETHYL4((4(4NITROPHENYL)PIPERAZINE1CARBOTHIOYL)AMINO)BENZOATE
InChI=1SC20H22N4O4Sc122819(25)153516(6415)2120(29)23131122(121423)177918(10817)24(26)27h310H21114H21H3(H2129)
MFCD05141318
ZINC000005041488
ZINC05041488
ZINC5041488
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