Vitas-M small molecule compound
10-bromo-3-(pentylsulfanyl)-6-(pyridin-3-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK326302
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cc(Br)cc1)c1cccnc1
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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 C20H20BrN5OS MW 458.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN5OS/c1-2-3-4-10-28-20-24-19-17(25-26-20)15-11-14(21)7-8-16(15)23-18(27-19)13-6-5-9-22-12-13/h5-9,11-12,18,23H,2-4,10H2,1H3InChIKey
NFZCOZOSOBIQBG-UHFFFAOYSA-NSynonyms
10bromo3(pentylsulfanyl)6(pyridin3yl)67dihydro(124)triazino(56d)(31)benzoxazepine
10bromo3pentylsulfanyl6pyridin3yl67dihydro(124)triazino(56d)(31)benzoxazepine
CCCCCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C4=CN=CC=C4)N=N1
InChI=1SC20H20BrN5OSc1234102820241917(252620)151114(21)7816(15)2318(2719)13659221213h5911121823H2410H21H3
MFCD02376906
ZINC000009601892
ZINC000009601893
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