Vitas-M small molecule compound

4-(6-amino-3-tert-butyl-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenyl morpholine-4-carboxylate

Catalog ID
STK763443
SMILES CCOc1cc(ccc1OC(=O)N1CCOCC1)C1C(=C(N)Oc2c1c(n[nH]2)C(C)(C)C)C#N

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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 C24H29N5O5 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N5O5/c1-5-32-17-12-14(6-7-16(17)33-23(30)29-8-10-31-11-9-29)18-15(13-25)21(26)34-22-19(18)20(27-28-22)24(2,3)4/h6-7,12,18H,5,8-11,26H2,1-4H3,(H,27,28)
InChIKey
QGIWACQHZWRXDF-UHFFFAOYSA-N
Synonyms

(4(6AMINO3TERTBUTYL5CYANO24DIHYDROPYRANO(23C)PYRAZOL4YL)2ETHOXYPHENYL)MORPHOLINE4CARBOXYLATE
4(6AMINO3(TERTBUTYL)5CYANO(4HPYRANO(32D)PYRAZOL4YL))2ETHOXYPHENYLMORPHOLINE4CARBOXYLATE
4(6amino3tertbutyl5cyano14dihydropyrano(23c)pyrazol4yl)2ethoxyphenylmorpholine4carboxylate
4(6AMINO3TERTBUTYL5CYANO24DIHYDROPYRANO(23C)PYRAZOL4YL)2ETHOXYPHENYLMORPHOLINE4CARBOXYLATE
CCOC1=C(C=CC(=C1)C2C(=C(OC3=NNC(=C23)C(C)(C)C)N)C#N)OC(=O)N4CCOCC4
CCOc1cc(ccc1OC(=O)N1CCOCC1)C1C(=C(N)Oc2c1c(n(nH)2)C(C)(C)C)C#N
InChI=1SC24H29N5O5c1532171214(6716(17)3323(30)298103111929)1815(1325)21(26)342219(18)20(272822)24(23)4h671218H581126H214H3(H2728)
MFCD02642624
ZINC000000709390
ZINC000000709391

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.