Vitas-M small molecule compound

(2E)-3-(furan-2-yl)-N-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamothioyl)prop-2-enamide

Catalog ID
STK069978
SMILES S=C(NC12CC3CC(C2)CC(C1)C3)NC(=O)/C=C/c1ccco1

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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 C18H22N2O2S MW 330.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O2S/c21-16(4-3-15-2-1-5-22-15)19-17(23)20-18-9-12-6-13(10-18)8-14(7-12)11-18/h1-5,12-14H,6-11H2,(H2,19,20,21,23)/b4-3+
InChIKey
PJPWFZWDVOOHEG-ONEGZZNKSA-N
Synonyms
532404-72-1
(2E)3(furan2yl)N(tricyclo(3311~37~)dec1ylcarbamothioyl)prop2enamide
(E)N((3s5s7s)adamantan1ylcarbamothioyl)3(furan2yl)acrylamide
(E)N(1ADAMANTYLCARBAMOTHIOYL)3(FURAN2YL)PROP2ENAMIDE
532404721
C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C=CC4=CC=CO4
InChI=1SC18H22N2O2Sc2116(43152152215)1917(23)2018912613(1018)814(712)1118h151214H611H2(H219202123)b43+
MFCD03567624
S=C(NC12CC3CC(C2)CC(C1)C3)NC(=O)C=Cc1ccco1
STK069978
ZINC000004599395
ZINC04599395
ZINC4599395

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Available files

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