Vitas-M small molecule compound
7-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK185080
SMILES COc1cc(ccc1OCc1cccc(c1)C)C1C(=C(C)Nc2n1ncn2)C(=O)Nc1ccccc1OC
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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 C29H29N5O4 MW 511.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O4/c1-18-8-7-9-20(14-18)16-38-24-13-12-21(15-25(24)37-4)27-26(19(2)32-29-30-17-31-34(27)29)28(35)33-22-10-5-6-11-23(22)36-3/h5-15,17,27H,16H2,1-4H3,(H,33,35)(H,30,31,32)InChIKey
JASNLKFTDGEQCF-UHFFFAOYSA-NSynonyms
7(3METHOXY4((3METHYLBENZYL)OXY)PHENYL)N(2METHOXYPHENYL)5METHYL47DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXAMIDE
7(3methoxy4((3methylphenyl)methoxy)phenyl)N(2methoxyphenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
CC1=CC(=CC=C1)COC2=C(C=C(C=C2)C3C(=C(N=C4N3NC=N4)C)C(=O)NC5=CC=CC=C5OC)OC
InChI=1SC29H29N5O4c11887920(1418)163824131221(1525(24)374)2726(19(2)322930173134(27)29)28(35)332210561123(22)363h5151727H16H214H3(H3335)(H303132)
MFCD06757414
ZINC000009907127
ZINC000009907131
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