Vitas-M small molecule compound

5-[4-(hexyloxy)-3-methoxyphenyl]-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Catalog ID
STL016711
SMILES CCCCCCOc1ccc(cc1OC)C1Oc2ccccc2C2N1N=C(C2)c1cccs1

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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 C27H30N2O3S MW 462.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O3S/c1-3-4-5-8-15-31-24-14-13-19(17-25(24)30-2)27-29-22(20-10-6-7-11-23(20)32-27)18-21(28-29)26-12-9-16-33-26/h6-7,9-14,16-17,22,27H,3-5,8,15,18H2,1-2H3
InChIKey
LXMAMSBNZCFJLB-UHFFFAOYSA-N
Synonyms

1HEXYLOXY2METHOXY4(9(2THIENYL)(6H10AHBENZO(E)2PYRAZOLINO(15C)13OXAZIN6YL))BENZENE
5(4(hexyloxy)3methoxyphenyl)2(thiophen2yl)110bdihydropyrazolo(15c)(13)benzoxazine
5(4HEXOXY3METHOXYPHENYL)2THIOPHEN2YL510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
CCCCCCOC1=C(C=C(C=C1)C2N3C(CC(=N3)C4=CC=CS4)C5=CC=CC=C5O2)OC
InChI=1SC27H30N2O3Sc13458153124141319(1725(24)302)272922(2010671123(20)3227)1821(2829)26129163326h6791416172227H3581518H212H3
MFCD06260316
ZINC000012194351
ZINC000012194365

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Available files

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