Vitas-M small molecule compound
2'-(1,3-benzodioxol-5-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Catalog ID
STL234590
SMILES c1ccc2c(c1)OC1(N3C2CC(=N3)c2ccc3c(c2)OCO3)CCN(CC1)C1CCCc2c1cccc2
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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 C31H31N3O3 MW 493.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O3/c1-2-8-23-21(6-1)7-5-10-26(23)33-16-14-31(15-17-33)34-27(24-9-3-4-11-28(24)37-31)19-25(32-34)22-12-13-29-30(18-22)36-20-35-29/h1-4,6,8-9,11-13,18,26-27H,5,7,10,14-17,19-20H2InChIKey
QIJHRSHWWHXCIW-UHFFFAOYSA-NSynonyms
843630-36-42(13benzodioxol5yl)1(1234tetrahydronaphthalen1yl)110bdihydrospiro(piperidine45pyrazolo(15c)(13)benzoxazine)
2(13benzodioxol5yl)1(1234tetrahydronaphthalen1yl)spiro(110bdihydropyrazolo(15c)(13)benzoxazine54piperidine)
2(benzo(d)(13)dioxol5yl)1(1234tetrahydronaphthalen1yl)110bdihydrospiro(benzo(e)pyrazolo(15c)(13)oxazine54piperidine)
843630364
C1CC(C2=CC=CC=C2C1)N3CCC4(CC3)N5C(CC(=N5)C6=CC7=C(C=C6)OCO7)C8=CC=CC=C8O4
InChI=1SC31H31N3O3c1282321(61)751026(23)33161431(151733)3427(249341128(24)3731)1925(3234)2212132930(1822)36203529h146891113182627H571014171920H2
MFCD04154515
ZINC000008969045
ZINC000013758040
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