Vitas-M small molecule compound
9,9-dimethyl-2-[({[(1Z)-1-(4-methylphenyl)ethylidene]amino}oxy)methyl]-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Catalog ID
STK270387
SMILES Cc1ccc(cc1)/C(=N\OCc1nc2n(n1)cnc1c2C(c2ccccc2)C2=C(O1)CC(CC2=O)(C)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 C30H29N5O3 MW 507.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N5O3/c1-18-10-12-20(13-11-18)19(2)34-37-16-24-32-28-27-25(21-8-6-5-7-9-21)26-22(36)14-30(3,4)15-23(26)38-29(27)31-17-35(28)33-24/h5-13,17,25H,14-16H2,1-4H3/b34-19-InChIKey
VELWFECXWZWBFV-FZKWRIDDSA-NSynonyms
(E)99dimethyl12phenyl2((((1(ptolyl)ethylidene)amino)oxy)methyl)910dihydro8Hchromeno(32e)(124)triazolo(15c)pyrimidin11(12H)one
99dimethyl2(((((1Z)1(4methylphenyl)ethylidene)amino)oxy)methyl)12phenyl891012tetrahydro11Hchromeno(32e)(124)triazolo(15c)pyrimidin11one
CC1=CC=C(C=C1)C(=NOCC2=NN3C=NC4=C(C3=N2)C(C5=C(O4)CC(CC5=O)(C)C)C6=CC=CC=C6)C
Cc1ccc(cc1)C(=NOCc1nc2n(n1)cnc1c2C(c2ccccc2)C2=C(O1)CC(CC2=O)(C)C)C
InChI=1SC30H29N5O3c118101220(131118)19(2)3437162432282725(218657921)2622(36)1430(34)1523(26)3829(27)311735(28)3324h5131725H1416H214H3b3419
MFCD09267951
ZINC000013858017
ZINC000013858018
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