Vitas-M small molecule compound
2-[({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)methyl]-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
STL239554
SMILES COc1ccc(cc1OC)/C=N/OCc1nc2n(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 C30H29N5O5 MW 539.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N5O5/c1-30(2)13-20(36)26-23(14-30)40-29-27(25(26)19-8-6-5-7-9-19)28-33-24(34-35(28)17-31-29)16-39-32-15-18-10-11-21(37-3)22(12-18)38-4/h5-12,15,17,25H,13-14,16H2,1-4H3/b32-15+InChIKey
IMDSTDTUADGHHJ-VWJSQJICSA-NSynonyms
844854-76-8(E)34dimethoxybenzaldehydeO((99dimethyl11oxo12phenyl9101112tetrahydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin2yl)methyl)oxime
2(((((E)(34dimethoxyphenyl)methylidene)amino)oxy)methyl)99dimethyl12phenyl891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
844854768
CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)CON=CC5=CC(=C(C=C5)OC)OC)C6=CC=CC=C6)C(=O)C1)C
COc1ccc(cc1OC)C=NOCc1nc2n(n1)cnc1c2C(c2ccccc2)C2=C(O1)CC(CC2=O)(C)C
InChI=1SC30H29N5O5c130(2)1320(36)2623(1430)402927(25(26)198657919)283324(3435(28)173129)1639321518101121(373)22(1218)384h512151725H131416H214H3b3215+
MFCD04164831
ZINC000002411366
ZINC000002411368
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