Vitas-M small molecule compound
N-{[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
Catalog ID
STK234498
SMILES CCc1ccc(cc1)c1oc2c(n1)cc(cc2)NC(=S)NC(=O)CC12CC3CC(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 C28H31N3O2S MW 473.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2S/c1-2-17-3-5-21(6-4-17)26-30-23-12-22(7-8-24(23)33-26)29-27(34)31-25(32)16-28-13-18-9-19(14-28)11-20(10-18)15-28/h3-8,12,18-20H,2,9-11,13-16H2,1H3,(H2,29,31,32,34)InChIKey
HMDDPUYLWSMBPP-UHFFFAOYSA-NSynonyms
2(1ADAMANTYL)N((2(4ETHYLPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)ACETAMIDE
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5
InChI=1SC28H31N3O2Sc12173521(6417)2630231222(7824(23)3326)2927(34)3125(32)16281318919(1428)1120(1018)1528h38121820H29111316H21H3(H229313234)
MFCD03906806
N((2(4ethylphenyl)13benzoxazol5yl)carbamothioyl)2(tricyclo(3311~37~)dec1yl)acetamide
ZINC000006283989
ZINC06283989
ZINC6283989
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