Vitas-M small molecule compound
[(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)sulfanyl]acetonitrile
Catalog ID
STL046290
SMILES N#CCSc1n[nH]c2n1c(=O)c1c(n2)c2ccccc2CC21CCCCC2
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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 C20H19N5OS MW 377.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5OS/c21-10-11-27-19-24-23-18-22-16-14-7-3-2-6-13(14)12-20(8-4-1-5-9-20)15(16)17(26)25(18)19/h2-3,6-7H,1,4-5,8-9,11-12H2,(H,22,23)InChIKey
KHZIRJDZSZTMPI-UHFFFAOYSA-NSynonyms
674357-47-2((7oxo711dihydro5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclohexan)9yl)sulfanyl)acetonitrile
674357472
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N5C(=N4)NN=C5SCC#N
InChI=1SC20H19N5OSc2110112719242318221614732613(14)1220(8415920)15(16)17(26)25(18)19h2367H145891112H2(H2223)
MFCD04073256
N#CCSc1n(nH)c2n1c(=O)c1c(n2)c2ccccc2CC21CCCCC2
ZINC000101034790
ZINC101034790
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