Vitas-M small molecule compound
1,7,7-trimethylbicyclo[2.2.1]hept-2-yl (1H-1,2,4-triazol-3-ylsulfanyl)acetate
Catalog ID
STK232530
SMILES O=C(OC1CC2C(C1(C)CC2)(C)C)CSc1n[nH]cn1
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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 C14H21N3O2S MW 295.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H21N3O2S/c1-13(2)9-4-5-14(13,3)10(6-9)19-11(18)7-20-12-15-8-16-17-12/h8-10H,4-7H2,1-3H3,(H,15,16,17)InChIKey
OWXRBOYBJLUKHW-UHFFFAOYSA-NSynonyms
1005118-44-4(477TRIMETHYL3BICYCLO(221)HEPTANYL)2(1H124TRIAZOL5YLSULFANYL)ACETATE
1005118444
177trimethylbicyclo(221)hept2yl(1H124triazol3ylsulfanyl)acetate
CC1(C2CCC1(C(C2)OC(=O)CSC3=NC=NN3)C)C
InChI=1SC14H21N3O2Sc113(2)94514(133)10(69)1911(18)72012158161712h810H47H213H3(H151617)
MFCD08070866
O=C(OC1CC2C(C1(C)CC2)(C)C)CSc1n(nH)cn1
ZINC000100795247
ZINC000101806916
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