Vitas-M small molecule compound
2-benzyl-12-(4-methoxyphenyl)-9,9-dimethyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Catalog ID
STK945402
SMILES COc1ccc(cc1)C1C2=C(Oc3c1c1nc(nn1cn3)Cc1ccccc1)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 C28H26N4O3 MW 466.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O3/c1-28(2)14-20(33)24-21(15-28)35-27-25(23(24)18-9-11-19(34-3)12-10-18)26-30-22(31-32(26)16-29-27)13-17-7-5-4-6-8-17/h4-12,16,23H,13-15H2,1-3H3InChIKey
MMRKVPSMZUHQAP-UHFFFAOYSA-NSynonyms
845664-75-72benzyl12(4methoxyphenyl)99dimethyl891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
2benzyl12(4methoxyphenyl)99dimethyl910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
845664757
CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)CC5=CC=CC=C5)C6=CC=C(C=C6)OC)C(=O)C1)C
InChI=1SC28H26N4O3c128(2)1420(33)2421(1528)352725(23(24)1891119(343)121018)263022(3132(26)162927)13177546817h4121623H1315H213H3
MFCD04168815
ZINC000002416480
ZINC000002416481
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