Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-chloro-3-nitrophenyl)methylidene]acetohydrazide
Catalog ID
STK102806
SMILES CCn1c(SCC(=O)N/N=C/c2ccc(c(c2)[N+](=O)[O-])Cl)nnc1c1ccc(cc1)C(C)(C)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 C23H25ClN6O3S MW 501.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN6O3S/c1-5-29-21(16-7-9-17(10-8-16)23(2,3)4)27-28-22(29)34-14-20(31)26-25-13-15-6-11-18(24)19(12-15)30(32)33/h6-13H,5,14H2,1-4H3,(H,26,31)/b25-13+InChIKey
HWVVEKABTZAGLE-DHRITJCHSA-NSynonyms
2((5(4tertbutylphenyl)4ethyl124triazol3yl)sulfanyl)N((E)(4chloro3nitrophenyl)methylideneamino)acetamide
2((5(4TERTBUTYLPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N((E)(4CHLORO3NITROPHENYL)METHYLIDENE)ACETOHYDRAZIDE
CCN1C(=NN=C1SCC(=O)NN=CC2=CC(=C(C=C2)Cl)(N+)(=O)(O))C3=CC=C(C=C3)C(C)(C)C
CCn1c(SCC(=O)NN=Cc2ccc(c(c2)(N+)(=O)(O))Cl)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC23H25ClN6O3Sc152921(167917(10816)23(23)4)272822(29)341420(31)2625131561118(24)19(1215)30(32)33h613H514H214H3(H2631)b2513+
MFCD03219086
ZINC000002697621
ZINC35223945
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