Vitas-M small molecule compound
N-(4-chloro-2,5-dimethoxyphenyl)-5-methyl-7-{2-[(4-methylbenzyl)oxy]phenyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK220517
SMILES COc1cc(Cl)c(cc1NC(=O)C1=C(C)Nc2n(C1c1ccccc1OCc1ccc(cc1)C)ncn2)OC
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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 C29H28ClN5O4 MW 546.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28ClN5O4/c1-17-9-11-19(12-10-17)15-39-23-8-6-5-7-20(23)27-26(18(2)33-29-31-16-32-35(27)29)28(36)34-22-14-24(37-3)21(30)13-25(22)38-4/h5-14,16,27H,15H2,1-4H3,(H,34,36)(H,31,32,33)InChIKey
OTIBCNXXNHSGKN-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)COC2=CC=CC=C2C3C(=C(N=C4N3NC=N4)C)C(=O)NC5=CC(=C(C=C5OC)Cl)OC
InChI=1SC29H28ClN5O4c11791119(121017)153923865720(23)2726(18(2)332931163235(27)29)28(36)34221424(373)21(30)1325(22)384h5141627H15H214H3(H3436)(H313233)
MFCD06760246
N(4chloro25dimethoxyphenyl)5methyl7(2((4methylbenzyl)oxy)phenyl)47dihydro(124)triazolo(15a)pyrimidine6carboxamide
N(4chloro25dimethoxyphenyl)5methyl7(2((4methylphenyl)methoxy)phenyl)17dihydro(124)triazolo(15a)pyrimidine6carboxamide
ZINC000098043232
ZINC000098043233
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