Vitas-M small molecule compound
2-(3,4-dimethoxybenzyl)-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Catalog ID
STK270385
SMILES COc1ccc(cc1OC)Cc1nc2n(n1)cnc1c2C(c2ccccc2)C2=C(O1)CC(CC2=O)(C)C
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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 C29H28N4O4 MW 496.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O4/c1-29(2)14-19(34)25-22(15-29)37-28-26(24(25)18-8-6-5-7-9-18)27-31-23(32-33(27)16-30-28)13-17-10-11-20(35-3)21(12-17)36-4/h5-12,16,24H,13-15H2,1-4H3InChIKey
AEGVFCVCBGNZBC-UHFFFAOYSA-NSynonyms
848734-55-42(34dimethoxybenzyl)99dimethyl12phenyl891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
2(34dimethoxybenzyl)99dimethyl12phenyl910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
848734554
CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)CC5=CC(=C(C=C5)OC)OC)C6=CC=CC=C6)C(=O)C1)C
InChI=1SC29H28N4O4c129(2)1419(34)2522(1529)372826(24(25)188657918)273123(3233(27)163028)1317101120(353)21(1217)364h5121624H1315H214H3
MFCD04194297
ZINC000002430728
ZINC000002430729
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