Vitas-M small molecule compound
2-chloro-4-methyl-N-({4-[3-(morpholin-4-yl)-4-nitrophenyl]piperazin-1-yl}carbonothioyl)benzamide
Catalog ID
STK199313
SMILES Cc1ccc(c(c1)Cl)C(=O)NC(=S)N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[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 C23H26ClN5O4S MW 504.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN5O4S/c1-16-2-4-18(19(24)14-16)22(30)25-23(34)28-8-6-26(7-9-28)17-3-5-20(29(31)32)21(15-17)27-10-12-33-13-11-27/h2-5,14-15H,6-13H2,1H3,(H,25,30,34)InChIKey
FMLBBAHTUCSVNC-UHFFFAOYSA-NSynonyms
2CHLORO4METHYLN((4(3(MORPHOLIN4YL)4NITROPHENYL)PIPERAZIN1YL)CARBONOTHIOYL)BENZAMIDE
2CHLORO4METHYLN(4(3MORPHOLIN4YL4NITROPHENYL)PIPERAZINE1CARBOTHIOYL)BENZAMIDE
CC1=CC(=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCOCC4)Cl
Cc1ccc(c(c1)Cl)C(=O)NC(=S)N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)(N+)(=O)(O)
InChI=1SC23H26ClN5O4Sc1162418(19(24)1416)22(30)2523(34)288626(7928)173520(29(31)32)21(1517)27101233131127h251415H613H21H3(H253034)
MFCD05830774
ZINC000009934651
ZINC09934651
ZINC9934651
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