Vitas-M small molecule compound

10'-bromo-3'-(propylsulfanyl)-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]

Catalog ID
STK327042
SMILES CCCSc1nnc2c(n1)OC1(CCCCC1)Nc1c2cc(Br)cc1

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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 C18H21BrN4OS MW 421.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21BrN4OS/c1-2-10-25-17-20-16-15(22-23-17)13-11-12(19)6-7-14(13)21-18(24-16)8-4-3-5-9-18/h6-7,11,21H,2-5,8-10H2,1H3
InChIKey
JIPZNVQBJNJIIG-UHFFFAOYSA-N
Synonyms

10bromo3(propylsulfanyl)7Hspiro(cyclohexane16(124)triazino(56d)(31)benzoxazepine)
10BROMO3PROPYLSULFANYLSPIRO(7H(124)TRIAZINO(56D)(31)BENZOXAZEPINE61CYCLOHEXANE)
CCCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC4(O2)CCCCC4)N=N1
InChI=1SC18H21BrN4OSc12102517201615(222317)131112(19)6714(13)2118(2416)8435918h671121H25810H21H3
MFCD03718788
ZINC000002824075
ZINC02824075
ZINC2824075

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Available files

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