Vitas-M small molecule compound
3-chloro-4-ethoxy-N-{[4-(4-nitrophenyl)piperazin-1-yl]carbonothioyl}benzamide
Catalog ID
STK020763
SMILES CCOc1ccc(cc1Cl)C(=O)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 C20H21ClN4O4S MW 448.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN4O4S/c1-2-29-18-8-3-14(13-17(18)21)19(26)22-20(30)24-11-9-23(10-12-24)15-4-6-16(7-5-15)25(27)28/h3-8,13H,2,9-12H2,1H3,(H,22,26,30)InChIKey
DCHPYDZRWUHPPJ-UHFFFAOYSA-NSynonyms
3CHLORO4ETHOXYN((4(4NITROPHENYL)PIPERAZIN1YL)CARBONOTHIOYL)BENZAMIDE
3CHLORO4ETHOXYN(4(4NITROPHENYL)PIPERAZINE1CARBOTHIOYL)BENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)(N+)(=O)(O))Cl
CCOc1ccc(cc1Cl)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H21ClN4O4Sc1229188314(1317(18)21)19(26)2220(30)2411923(101224)154616(7515)25(27)28h3813H2912H21H3(H222630)
MFCD03030994
STK020763
ZINC000008986466
ZINC08986466
ZINC8986466
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