Vitas-M small molecule compound

{4-[8-oxo-6-(3,4,5-trimethoxyphenyl)-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]phenoxy}acetic acid

Catalog ID
STK335017
SMILES COc1c(OC)cc(cc1OC)C1CC(=O)C2=C(C1)Nc1n(C2c2ccc(cc2)OCC(=O)O)ncn1

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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 C26H26N4O7 MW 506.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O7/c1-34-20-10-16(11-21(35-2)25(20)36-3)15-8-18-23(19(31)9-15)24(30-26(29-18)27-13-28-30)14-4-6-17(7-5-14)37-12-22(32)33/h4-7,10-11,13,15,24H,8-9,12H2,1-3H3,(H,32,33)(H,27,28,29)
InChIKey
HKDHSABXHHEMBH-UHFFFAOYSA-N
Synonyms

(4(8oxo6(345trimethoxyphenyl)456789hexahydro(124)triazolo(51b)quinazolin9yl)phenoxy)aceticacid
2(4(8oxo6(345trimethoxyphenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin9yl)phenoxy)aceticacid
COC1=CC(=CC(=C1OC)OC)C2CC3=C(C(N4C(=N3)N=CN4)C5=CC=C(C=C5)OCC(=O)O)C(=O)C2
InChI=1SC26H26N4O7c134201016(1121(352)25(20)363)1581823(19(31)915)24(3026(2918)27132830)144617(7514)371222(32)33h471011131524H8912H213H3(H3233)(H272829)
MFCD09963803
ZINC000018198095
ZINC000018198101

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Available files

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