Vitas-M small molecule compound
1-(4-nitrophenyl)-2-{[4-(prop-2-en-1-yl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK271524
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nnc1C12CC3CC(C2)CC(C1)C3
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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 C23H26N4O3S MW 438.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O3S/c1-2-7-26-21(23-11-15-8-16(12-23)10-17(9-15)13-23)24-25-22(26)31-14-20(28)18-3-5-19(6-4-18)27(29)30/h2-6,15-17H,1,7-14H2InChIKey
VQYWAFVJPJPMTO-UHFFFAOYSA-NSynonyms
1(4nitrophenyl)2((4(prop2en1yl)5(tricyclo(3311~37~)dec1yl)4H124triazol3yl)sulfanyl)ethanone
2((5(1ADAMANTYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(4NITROPHENYL)ETHANONE
C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)(N+)(=O)(O))C34CC5CC(C3)CC(C5)C4
C=CCn1c(SCC(=O)c2ccc(cc2)(N+)(=O)(O))nnc1C12CC3CC(C2)CC(C1)C3
InChI=1SC23H26N4O3Sc1272621(231115816(1223)1017(915)1323)242522(26)311420(28)183519(6418)27(29)30h261517H1714H2
MFCD03709132
ZINC000009614263
ZINC09614263
ZINC9614263
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