Vitas-M small molecule compound
2-{[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Catalog ID
STK130898
SMILES CCn1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nnc1Cc1cccc2c1cccc2
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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 C23H20N4O3S MW 432.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O3S/c1-2-26-22(14-18-8-5-7-16-6-3-4-9-20(16)18)24-25-23(26)31-15-21(28)17-10-12-19(13-11-17)27(29)30/h3-13H,2,14-15H2,1H3InChIKey
SJTJRZVWLJZWKL-UHFFFAOYSA-NSynonyms
2((4ETHYL5(NAPHTHALEN1YLMETHYL)124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
2((4ETHYL5(NAPHTHALEN1YLMETHYL)4H124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)(N+)(=O)(O))CC3=CC=CC4=CC=CC=C43
CCn1c(SCC(=O)c2ccc(cc2)(N+)(=O)(O))nnc1Cc1cccc2c1cccc2
InChI=1SC23H20N4O3Sc122622(141885716634920(16)18)242523(26)311521(28)17101219(131117)27(29)30h313H21415H21H3
MFCD04330280
ZINC000009850094
ZINC09850094
ZINC9850094
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