Vitas-M small molecule compound
N-[(4-ethyl-5-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-ylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide
Catalog ID
STK221863
SMILES CCn1c(SCC(=O)NC23CC4CC(C3)CC(C2)C4)nnc1CNC(=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 C25H33N5O2S MW 467.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N5O2S/c1-3-30-21(14-26-23(32)20-6-4-5-16(2)7-20)28-29-24(30)33-15-22(31)27-25-11-17-8-18(12-25)10-19(9-17)13-25/h4-7,17-19H,3,8-15H2,1-2H3,(H,26,32)(H,27,31)InChIKey
ULSQMQFSHAVWNI-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)CNC(=O)C5=CC(=CC=C5)C
InChI=1SC25H33N5O2Sc133021(142623(32)2064516(2)720)282924(30)331522(31)27251117818(1225)1019(917)1325h471719H3815H212H3(H2632)(H2731)
MFCD07398917
N((4ethyl5((2oxo2(tricyclo(3311~37~)dec1ylamino)ethyl)sulfanyl)4H124triazol3yl)methyl)3methylbenzamide
N((5(2(1ADAMANTYLAMINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N(5(ADAMANTAN1YLCARBAMOYLMETHYLSULFANYL)4ETHYL4H(124)TRIAZOL3YLMETHYL)3METHYLBENZAMIDE
ZINC000009302382
ZINC09302382
ZINC9302382
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