Vitas-M small molecule compound
N-[(2-methoxy-4-nitrophenyl)carbamothioyl]-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
Catalog ID
STK347567
SMILES COc1cc(ccc1NC(=S)NC(=O)CC12CC3CC(C2)CC(C1)C3)[N+](=O)[O-]
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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 C20H25N3O4S MW 403.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O4S/c1-27-17-7-15(23(25)26)2-3-16(17)21-19(28)22-18(24)11-20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,12-14H,4-6,8-11H2,1H3,(H2,21,22,24,28)InChIKey
KMYFXULMQZLGFY-UHFFFAOYSA-NSynonyms
2(1ADAMANTYL)N((2METHOXY4NITROPHENYL)CARBAMOTHIOYL)ACETAMIDE
COC1=C(C=CC(=C1)(N+)(=O)(O))NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3
COc1cc(ccc1NC(=S)NC(=O)CC12CC3CC(C2)CC(C1)C3)(N+)(=O)(O)
InChI=1SC20H25N3O4Sc12717715(23(25)26)2316(17)2119(28)2218(24)1120812413(920)614(512)1020h2371214H46811H21H3(H221222428)
MFCD05795976
N((2methoxy4nitrophenyl)carbamothioyl)2(tricyclo(3311~37~)dec1yl)acetamide
ZINC000005063901
ZINC05063901
ZINC5063901
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