Vitas-M small molecule compound
3,3'-ethane-1,2-diylbis{4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole}
Catalog ID
STK807062
SMILES CCn1c(CCc2nnc(n2CC)SCc2ccc(cc2)[N+](=O)[O-])nnc1SCc1ccc(cc1)[N+](=O)[O-]
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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 C24H26N8O4S2 MW 554.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N8O4S2/c1-3-29-21(25-27-23(29)37-15-17-5-9-19(10-6-17)31(33)34)13-14-22-26-28-24(30(22)4-2)38-16-18-7-11-20(12-8-18)32(35)36/h5-12H,3-4,13-16H2,1-2H3InChIKey
ZCQSKIYEAIOPAP-UHFFFAOYSA-NSynonyms
33ethane12diylbis(4ethyl5((4nitrobenzyl)sulfanyl)4H124triazole)
4ETHYL3(2(4ETHYL5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOL3YL)ETHYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
4ETHYL3(2(4ETHYL5((4NITROPHENYL)METHYLTHIO)(124TRIAZOL3YL))ETHYL)5((4NITROPHENYL)METHYLTHIO)124TRIAZOLE
CCN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))CCC3=NN=C(N3CC)SCC4=CC=C(C=C4)(N+)(=O)(O)
CCn1c(CCc2nnc(n2CC)SCc2ccc(cc2)(N+)(=O)(O))nnc1SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC24H26N8O4S2c132921(252723(29)3715175919(10617)31(33)34)131422262824(30(22)42)38161871120(12818)32(35)36h512H341316H212H3
MFCD03621185
ZINC000101196768
ZINC101196768
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