Vitas-M small molecule compound
S-[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl] bicyclo[2.2.1]hept-2-ylcarbamothioate
Catalog ID
STL477299
SMILES O=C(Sc1nnc([nH]1)c1ccccn1)NC1CC2CC1CC2
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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 C15H17N5OS MW 315.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N5OS/c21-15(17-12-8-9-4-5-10(12)7-9)22-14-18-13(19-20-14)11-3-1-2-6-16-11/h1-3,6,9-10,12H,4-5,7-8H2,(H,17,21)(H,18,19,20)InChIKey
BYYVHPJMKCBTFH-UHFFFAOYSA-NSynonyms
C1CC2CC1CC2NC(=O)SC3=NNC(=N3)C4=CC=CC=N4
InChI=1SC15H17N5OSc2115(1712894510(12)79)22141813(192014)1131261611h13691012H4578H2(H1721)(H181920)
MFCD30713154
O=C(Sc1nnc((nH)1)c1ccccn1)NC1CC2CC1CC2
S((5pyridin2yl1H124triazol3yl))N(3bicyclo(221)heptanyl)carbamothioate
S(5(pyridin2yl)4H124triazol3yl)bicyclo(221)hept2ylcarbamothioate
ZINC000334160360
ZINC000334160361
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