Vitas-M small molecule compound
2-{[5-{[(4-chlorophenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-nitrothiophen-2-yl)methylidene]propanehydrazide
Catalog ID
STK957703
SMILES C=CCn1c(nnc1CNc1ccc(cc1)Cl)SC(C(=O)N/N=C/c1ccc(s1)[N+](=O)[O-])C
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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 C20H20ClN7O3S2 MW 506.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN7O3S2/c1-3-10-27-17(12-22-15-6-4-14(21)5-7-15)24-26-20(27)32-13(2)19(29)25-23-11-16-8-9-18(33-16)28(30)31/h3-9,11,13,22H,1,10,12H2,2H3,(H,25,29)/b23-11+InChIKey
YBVKYCRCQKQMPU-FOKLQQMPSA-NSynonyms
680586-76-92((5(((4chlorophenyl)amino)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N((E)(5nitrothiophen2yl)methylidene)propanehydrazide
2((5((4chloroanilino)methyl)4prop2enyl124triazol3yl)sulfanyl)N((E)(5nitrothiophen2yl)methylideneamino)propanamide
680586769
C=CCn1c(nnc1CNc1ccc(cc1)Cl)SC(C(=O)NN=Cc1ccc(s1)(N+)(=O)(O))C
CC(C(=O)NN=CC1=CC=C(S1)(N+)(=O)(O))SC2=NN=C(N2CC=C)CNC3=CC=C(C=C3)Cl
InChI=1SC20H20ClN7O3S2c13102717(1222156414(21)5715)242620(27)3213(2)19(29)252311168918(3316)28(30)31h39111322H11012H22H3(H2529)b2311+
MFCD01436560
ZINC000002742758
ZINC000002742760
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