Vitas-M small molecule compound
N'-[(E)-(4-nitrophenyl)methylidene]-2-({5-[(phenylamino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanehydrazide
Catalog ID
STL171386
SMILES C=CCn1c(SC(C(=O)N/N=C/c2ccc(cc2)[N+](=O)[O-])C)nnc1CNc1ccccc1
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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 C22H23N7O3S MW 465.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N7O3S/c1-3-13-28-20(15-23-18-7-5-4-6-8-18)25-27-22(28)33-16(2)21(30)26-24-14-17-9-11-19(12-10-17)29(31)32/h3-12,14,16,23H,1,13,15H2,2H3,(H,26,30)/b24-14+InChIKey
CSQBAKWKADTEFG-ZVHZXABRSA-NSynonyms
2((5(anilinomethyl)4prop2enyl124triazol3yl)sulfanyl)N((E)(4nitrophenyl)methylideneamino)propanamide
C=CCn1c(SC(C(=O)NN=Cc2ccc(cc2)(N+)(=O)(O))C)nnc1CNc1ccccc1
CC(C(=O)NN=CC1=CC=C(C=C1)(N+)(=O)(O))SC2=NN=C(N2CC=C)CNC3=CC=CC=C3
InChI=1SC22H23N7O3Sc13132820(1523187546818)252722(28)3316(2)21(30)2624141791119(121017)29(31)32h312141623H11315H22H3(H2630)b2414+
MFCD01614801
N((E)(4nitrophenyl)methylidene)2((5((phenylamino)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)propanehydrazide
ZINC000002752866
ZINC000002752868
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