Vitas-M small molecule compound
2-({4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)-N-[3-(morpholin-4-yl)propyl]hydrazinecarbothioamide
Catalog ID
STK307912
SMILES S=C(NNC(=O)c1ccc(cc1)Cn1nc(cc1C)[N+](=O)[O-])NCCCN1CCOCC1
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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 C20H27N7O4S MW 461.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N7O4S/c1-15-13-18(27(29)30)24-26(15)14-16-3-5-17(6-4-16)19(28)22-23-20(32)21-7-2-8-25-9-11-31-12-10-25/h3-6,13H,2,7-12,14H2,1H3,(H,22,28)(H2,21,23,32)InChIKey
JYMIBVICZUXYQT-UHFFFAOYSA-NSynonyms
1005566-50-61((4((5METHYL3NITROPYRAZOL1YL)METHYL)BENZOYL)AMINO)3(3MORPHOLIN4YLPROPYL)THIOUREA
1005566506
2((4((5methyl3nitro1Hpyrazol1yl)methyl)phenyl)carbonyl)N(3(morpholin4yl)propyl)hydrazinecarbothioamide
CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)NNC(=S)NCCCN3CCOCC3)(N+)(=O)(O)
InChI=1SC20H27N7O4Sc1151318(27(29)30)2426(15)14163517(6416)19(28)222320(32)217282591131121025h3613H271214H21H3(H2228)(H2212332)
MFCD04131407
S=C(NNC(=O)c1ccc(cc1)Cn1nc(cc1C)(N+)(=O)(O))NCCCN1CCOCC1
ZINC000013959908
ZINC13959908
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