Vitas-M small molecule compound

3-methyl-N-[(4-methyl-5-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-ylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide

Catalog ID
STK221820
SMILES O=C(NC12CC3CC(C2)CC(C1)C3)CSc1nnc(n1C)CNC(=O)c1cccc(c1)C

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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 C24H31N5O2S MW 453.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N5O2S/c1-15-4-3-5-19(6-15)22(31)25-13-20-27-28-23(29(20)2)32-14-21(30)26-24-10-16-7-17(11-24)9-18(8-16)12-24/h3-6,16-18H,7-14H2,1-2H3,(H,25,31)(H,26,30)
InChIKey
QCRGTLQWBRPKFV-UHFFFAOYSA-N
Synonyms

3methylN((4methyl5((2oxo2(tricyclo(3311~37~)dec1ylamino)ethyl)sulfanyl)4H124triazol3yl)methyl)benzamide
CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC34CC5CC(C3)CC(C5)C4
InChI=1SC24H31N5O2Sc11543519(615)22(31)251320272823(29(20)2)321421(30)26241016717(1124)918(816)1224h361618H714H212H3(H2531)(H2630)
MFCD07398909
N((5(2(1ADAMANTYLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
ZINC000009263951
ZINC09263951
ZINC9263951

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Available files

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