Vitas-M small molecule compound
2-(propylsulfanyl)-4a,5,6,7,8,8a-hexahydrospiro[1,3-benzoxazine-4,1'-cyclohexane]
Catalog ID
STL326738
SMILES CCCSC1=NC2(C3C(O1)CCCC3)CCCCC2
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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 C16H27NOS MW 281.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H27NOS/c1-2-12-19-15-17-16(10-6-3-7-11-16)13-8-4-5-9-14(13)18-15/h13-14H,2-12H2,1H3InChIKey
IUURZZLUVCQAQI-UHFFFAOYSA-NSynonyms
2(propylsulfanyl)4a56788ahexahydrospiro(13benzoxazine41cyclohexane)
2(propylthio)4a56788ahexahydrospiro(benzo(e)(13)oxazine41cyclohexane)hydroiodide
2propylsulfanylspiro(4a56788ahexahydro13benzoxazine41cyclohexane)
CCCSC1=NC2(C3C(O1)CCCC3)CCCCC2I
CCCSC1=NC2(CCCCC2)C3CCCCC3O1
InChI=1SC16H27NOSc121219151716(106371116)13845914(13)1815h1314H212H21H3
MFCD00681222
ZINC000002274900
ZINC000002274903
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