Vitas-M small molecule compound

3'-(phenylcarbonyl)spiro[cyclohexane-1,4'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-6'(7'H)-one

Catalog ID
STL447405
SMILES O=C1Cn2nnc(c2C2(O1)CCCCC2)C(=O)c1ccccc1

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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 C17H17N3O3 MW 311.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O3/c21-13-11-20-16(17(23-13)9-5-2-6-10-17)14(18-19-20)15(22)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChIKey
XFCJNJBAUMMPFK-UHFFFAOYSA-N
Synonyms

3(PHENYLCARBONYL)SPIRO(7H123TRIAZOLO(15D)14OXAZAPERHYDROINE41CYCLOHEXANE)6ONE
3(phenylcarbonyl)spiro(cyclohexane14(123)triazolo(51c)(14)oxazin)6(7H)one
3BENZOYLSPIRO(7HTRIAZOLO(51C)(14)OXAZINE41CYCLOHEXANE)6ONE
3BENZOYLSPIRO(CYCLOHEXANE14(123)TRIAZOLO(51C)(14)OXAZIN)6(7H)ONE
C1CCC2(CC1)C3=C(N=NN3CC(=O)O2)C(=O)C4=CC=CC=C4
InChI=1SC17H17N3O3c2113112016(17(2313)95261017)14(181920)15(22)127314812h13478H256911H2
MFCD02942193
ZINC000000132494
ZINC00132494
ZINC132494

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Available files

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