Vitas-M small molecule compound

2-{[1-(bicyclo[2.2.1]hept-2-yl)-1H-tetrazol-5-yl]sulfanyl}-N-(2-methyl-5-nitrophenyl)acetamide

Catalog ID
STK328876
SMILES O=C(Nc1cc(ccc1C)[N+](=O)[O-])CSc1nnnn1C1CC2CC1CC2

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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 C17H20N6O3S MW 388.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N6O3S/c1-10-2-5-13(23(25)26)8-14(10)18-16(24)9-27-17-19-20-21-22(17)15-7-11-3-4-12(15)6-11/h2,5,8,11-12,15H,3-4,6-7,9H2,1H3,(H,18,24)
InChIKey
HGKLHELLRARIHK-UHFFFAOYSA-N
Synonyms
1005281-71-9
1005281719
2((1(bicyclo(221)hept2yl)1Htetrazol5yl)sulfanyl)N(2methyl5nitrophenyl)acetamide
2(1(3BICYCLO(221)HEPTANYL)TETRAZOL5YL)SULFANYLN(2METHYL5NITROPHENYL)ACETAMIDE
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CSC2=NN=NN2C3CC4CCC3C4
InChI=1SC17H20N6O3Sc1102513(23(25)26)814(10)1816(24)9271719202122(17)157113412(15)611h258111215H34679H21H3(H1824)
MFCD05856070
O=C(Nc1cc(ccc1C)(N+)(=O)(O))CSc1nnnn1C1CC2CC1CC2
ZINC000101547403
ZINC000101547409

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Available files

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