Vitas-M small molecule compound
N-(2-methyl-5-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}acetamide
Catalog ID
STK328664
SMILES C=CCn1c(SCC(=O)Nc2cc(ccc2C)[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 C24H29N5O3S MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N5O3S/c1-3-6-28-22(24-11-16-7-17(12-24)9-18(8-16)13-24)26-27-23(28)33-14-21(30)25-20-10-19(29(31)32)5-4-15(20)2/h3-5,10,16-18H,1,6-9,11-14H2,2H3,(H,25,30)InChIKey
YOIQVRGECPEDBH-UHFFFAOYSA-NSynonyms
889948-17-82((5(1ADAMANTYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(2METHYL5NITROPHENYL)ACETAMIDE
889948178
C=CCn1c(SCC(=O)Nc2cc(ccc2C)(N+)(=O)(O))nnc1C12CC3CC(C2)CC(C1)C3
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2CC=C)C34CC5CC(C3)CC(C5)C4
InChI=1SC24H29N5O3Sc1362822(241116717(1224)918(816)1324)262723(28)331421(30)25201019(29(31)32)5415(20)2h35101618H1691114H22H3(H2530)
MFCD06617283
N(2methyl5nitrophenyl)2((4(prop2en1yl)5(tricyclo(3311~37~)dec1yl)4H124triazol3yl)sulfanyl)acetamide
ZINC000014945344
ZINC14945344
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