Vitas-M small molecule compound
2-{[5-{[(4-methylphenyl)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
STK957850
SMILES C=CCn1c(nnc1CNc1ccc(cc1)C)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 C21H23N7O3S2 MW 485.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N7O3S2/c1-4-11-27-18(13-22-16-7-5-14(2)6-8-16)24-26-21(27)32-15(3)20(29)25-23-12-17-9-10-19(33-17)28(30)31/h4-10,12,15,22H,1,11,13H2,2-3H3,(H,25,29)/b23-12+InChIKey
UJCMGGRJXIYKJR-FSJBWODESA-NSynonyms
754228-35-82((5(((4methylphenyl)amino)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N((E)(5nitrothiophen2yl)methylidene)propanehydrazide
2((5((4methylanilino)methyl)4prop2enyl124triazol3yl)sulfanyl)N((E)(5nitrothiophen2yl)methylideneamino)propanamide
754228358
C=CCn1c(nnc1CNc1ccc(cc1)C)SC(C(=O)NN=Cc1ccc(s1)(N+)(=O)(O))C
CC1=CC=C(C=C1)NCC2=NN=C(N2CC=C)SC(C)C(=O)NN=CC3=CC=C(S3)(N+)(=O)(O)
InChI=1SC21H23N7O3S2c14112718(1322167514(2)6816)242621(27)3215(3)20(29)2523121791019(3317)28(30)31h410121522H11113H223H3(H2529)b2312+
MFCD01436813
ZINC000002744542
ZINC000002744544
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