Vitas-M small molecule compound
2-({3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)-N-(2-phenylethyl)hydrazinecarbothioamide
Catalog ID
STL394879
SMILES S=C(NNC(=O)c1cccc(c1)Cn1nc(c(c1C)[N+](=O)[O-])C)NCCc1ccccc1
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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 C22H24N6O3S MW 452.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N6O3S/c1-15-20(28(30)31)16(2)27(26-15)14-18-9-6-10-19(13-18)21(29)24-25-22(32)23-12-11-17-7-4-3-5-8-17/h3-10,13H,11-12,14H2,1-2H3,(H,24,29)(H2,23,25,32)InChIKey
XMZBJMDVSXJTEC-UHFFFAOYSA-NSynonyms
1005654-83-01((3((35dimethyl4nitropyrazol1yl)methyl)benzoyl)amino)3(2phenylethyl)thiourea
1005654830
2((3((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)PHENYL)CARBONYL)N(2PHENYLETHYL)HYDRAZINECARBOTHIOAMIDE
CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NNC(=S)NCCC3=CC=CC=C3)C)(N+)(=O)(O)
InChI=1SC22H24N6O3Sc11520(28(30)31)16(2)27(2615)1418961019(1318)21(29)242522(32)231211177435817h31013H111214H212H3(H2429)(H2232532)
MFCD04131948
S=C(NNC(=O)c1cccc(c1)Cn1nc(c(c1C)(N+)(=O)(O))C)NCCc1ccccc1
ZINC000002796238
ZINC02796238
ZINC2796238
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