Vitas-M small molecule compound
2-[(4-chlorophenoxy)methyl]-12-(3,4-dimethoxyphenyl)-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
STL252811
SMILES COc1ccc(cc1OC)C1C2=C(Oc3c1c1nc(nn1cn3)COc1ccc(cc1)Cl)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 C29H27ClN4O5 MW 547.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClN4O5/c1-29(2)12-19(35)25-22(13-29)39-28-26(24(25)16-5-10-20(36-3)21(11-16)37-4)27-32-23(33-34(27)15-31-28)14-38-18-8-6-17(30)7-9-18/h5-11,15,24H,12-14H2,1-4H3InChIKey
VQOYGHLANMOQRV-UHFFFAOYSA-NSynonyms
847185-57-32((4chlorophenoxy)methyl)12(34dimethoxyphenyl)99dimethyl891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
2((4chlorophenoxy)methyl)12(34dimethoxyphenyl)99dimethyl910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
847185573
CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)COC5=CC=C(C=C5)Cl)C6=CC(=C(C=C6)OC)OC)C(=O)C1)C
InChI=1SC29H27ClN4O5c129(2)1219(35)2522(1329)392826(24(25)1651020(363)21(1116)374)273223(3334(27)153128)1438188617(30)7918h5111524H1214H214H3
MFCD04184933
ZINC000002404176
ZINC000002404177
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