Vitas-M small molecule compound

2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]acetohydrazide

Catalog ID
STK009092
SMILES O=C(CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)Cl)N/N=C(\c1ccc(cc1)[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 C24H18Cl2N6O3S MW 541.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18Cl2N6O3S/c1-15(16-4-10-21(11-5-16)32(34)35)27-28-22(33)14-36-24-30-29-23(17-2-6-18(25)7-3-17)31(24)20-12-8-19(26)9-13-20/h2-13H,14H2,1H3,(H,28,33)/b27-15-
InChIKey
CHJWSGDUIJWKOP-DICXZTSXSA-N
Synonyms

(E)2((45bis(4chlorophenyl)4H124triazol3yl)thio)N(1(4nitrophenyl)ethylidene)acetohydrazide
2((45BIS(4CHLOROPHENYL)124TRIAZOL3YL)SULFANYL)N((Z)1(4NITROPHENYL)ETHYLIDENEAMINO)ACETAMIDE
2((45BIS(4CHLOROPHENYL)4H124TRIAZOL3YL)SULFANYL)N((1Z)1(4NITROPHENYL)ETHYLIDENE)ACETOHYDRAZIDE
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC24H18Cl2N6O3Sc115(1641021(11516)32(34)35)272822(33)143624302923(172618(25)7317)31(24)2012819(26)91320h213H14H21H3(H2833)b2715
MFCD02729572
O=C(CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)Cl)NN=C(c1ccc(cc1)(N+)(=O)(O))C
STK009092
ZINC000097944136
ZINC100878410

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Available files

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