Vitas-M small molecule compound

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

Catalog ID
STK765264
SMILES N#CC1=C(N)Oc2c(C1c1cc(Br)ccc1OC(=O)N1CCOCC1)c(n[nH]2)c1ccncc1

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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 C23H19BrN6O4 MW 523.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN6O4/c24-14-1-2-17(33-23(31)30-7-9-32-10-8-30)15(11-14)18-16(12-25)21(26)34-22-19(18)20(28-29-22)13-3-5-27-6-4-13/h1-6,11,18H,7-10,26H2,(H,28,29)
InChIKey
PTKRBTIZXQSKGB-UHFFFAOYSA-N
Synonyms

(2(6AMINO5CYANO3PYRIDIN4YL24DIHYDROPYRANO(23C)PYRAZOL4YL)4BROMOPHENYL)MORPHOLINE4CARBOXYLATE
2(6AMINO5CYANO3(4PYRIDYL)(4HPYRANO(32D)PYRAZOL4YL))4BROMOPHENYLMORPHOLINE4CARBOXYLATE
2(6amino5cyano3(pyridin4yl)14dihydropyrano(23c)pyrazol4yl)4bromophenylmorpholine4carboxylate
2(6AMINO5CYANO3PYRIDIN4YL24DIHYDROPYRANO(23C)PYRAZOL4YL)4BROMOPHENYLMORPHOLINE4CARBOXYLATE
C1COCCN1C(=O)OC2=C(C=C(C=C2)Br)C3C(=C(OC4=NNC(=C34)C5=CC=NC=C5)N)C#N
InChI=1SC23H19BrN6O4c24141217(3323(31)30793210830)15(1114)1816(1225)21(26)342219(18)20(282922)1335276413h161118H71026H2(H2829)
MFCD03035523
N#CC1=C(N)Oc2c(C1c1cc(Br)ccc1OC(=O)N1CCOCC1)c(n(nH)2)c1ccncc1
ZINC000000718416
ZINC000000718417

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Available files

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