Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(4-chloro-3-nitrophenyl)methylidene]acetohydrazide
Catalog ID
STK110560
SMILES O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)N/N=C\c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C28H27ClN6O3S MW 563.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN6O3S/c1-18-5-12-22(13-6-18)34-26(20-8-10-21(11-9-20)28(2,3)4)32-33-27(34)39-17-25(36)31-30-16-19-7-14-23(29)24(15-19)35(37)38/h5-16H,17H2,1-4H3,(H,31,36)/b30-16-InChIKey
GNODMOUEKADGEP-UHBFCERESA-NSynonyms
(E)2((5(4(tertbutyl)phenyl)4(ptolyl)4H124triazol3yl)thio)N(4chloro3nitrobenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((Z)(4CHLORO3NITROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((Z)(4CHLORO3NITROPHENYL)METHYLIDENE)ACETOHYDRAZIDE
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC(=C(C=C3)Cl)(N+)(=O)(O))C4=CC=C(C=C4)C(C)(C)C
InChI=1SC28H27ClN6O3Sc11851222(13618)3426(2081021(11920)28(23)4)323327(34)391725(36)3130161971423(29)24(1519)35(37)38h516H17H214H3(H3136)b3016
MFCD03219895
N((1Z)2(4CHLORO3NITROPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)NN=Cc1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000097939496
ZINC2696126
Check stock
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