Vitas-M small molecule compound
3'-[(2-fluorobenzyl)sulfanyl]-7'H-spiro[cyclopentane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Catalog ID
STK326645
SMILES Fc1ccccc1CSc1nnc2c(n1)OC1(CCCC1)Nc1c2cccc1
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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 C21H19FN4OS MW 394.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN4OS/c22-16-9-3-1-7-14(16)13-28-20-23-19-18(25-26-20)15-8-2-4-10-17(15)24-21(27-19)11-5-6-12-21/h1-4,7-10,24H,5-6,11-13H2InChIKey
RLWNCFIYSZHGGI-UHFFFAOYSA-NSynonyms
3((2FLUOROBENZYL)SULFANYL)67DIHYDROSPIRO((124)TRIAZINO(56D)(31)BENZOXAZEPINE61CYCLOPENTANE)
3((2fluorobenzyl)sulfanyl)7Hspiro(cyclopentane16(124)triazino(56d)(31)benzoxazepine)
3((2FLUOROPHENYL)METHYLSULFANYL)SPIRO(7H(124)TRIAZINO(56D)(31)BENZOXAZEPINE61CYCLOPENTANE)
C1CCC2(C1)NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5F
InChI=1SC21H19FN4OSc2216931714(16)132820231918(252620)158241017(15)2421(2719)11561221h1471024H561113H2
MFCD02182550
ZINC000002094398
ZINC02094398
ZINC2094398
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