Vitas-M small molecule compound
4-ethoxy-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamothioyl)benzamide
Catalog ID
STK243825
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)NC12CC3CC(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 C20H25N3O4S MW 403.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O4S/c1-2-27-17-4-3-15(8-16(17)23(25)26)18(24)21-19(28)22-20-9-12-5-13(10-20)7-14(6-12)11-20/h3-4,8,12-14H,2,5-7,9-11H2,1H3,(H2,21,22,24,28)InChIKey
FTEUETCYRVOLHF-UHFFFAOYSA-NSynonyms
4ethoxy3nitroN(tricyclo(3311~37~)dec1ylcarbamothioyl)benzamide
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)NC12CC3CC(C2)CC(C1)C3
InChI=1SC20H25N3O4Sc1227174315(816(17)23(25)26)18(24)2119(28)2220912513(1020)714(612)1120h3481214H257911H21H3(H221222428)
MFCD03572335
N(1ADAMANTYLCARBAMOTHIOYL)4ETHOXY3NITROBENZAMIDE
ZINC000004949414
ZINC04949414
ZINC4949414
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