Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-7-(4-fluorophenyl)-5-methyl-2-[(3-methylbenzyl)sulfanyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STL200345
SMILES Fc1ccc(cc1)C1C(=C(C)Nc2n1nc(n2)SCc1cccc(c1)C)C(=O)Nc1ccc(cc1C)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 C29H28FN5OS MW 513.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28FN5OS/c1-17-6-5-7-21(15-17)16-37-29-33-28-31-20(4)25(27(36)32-24-13-8-18(2)14-19(24)3)26(35(28)34-29)22-9-11-23(30)12-10-22/h5-15,26H,16H2,1-4H3,(H,32,36)(H,31,33,34)InChIKey
NDFJTCPBJDYQJF-UHFFFAOYSA-NSynonyms
CC1=CC(=CC=C1)CSC2=NC3=NC(=C(C(N3N2)C4=CC=C(C=C4)F)C(=O)NC5=C(C=C(C=C5)C)C)C
InChI=1SC29H28FN5OSc11765721(1517)16372933283120(4)25(27(36)322413818(2)1419(24)3)26(35(28)3429)2291123(30)121022h51526H16H214H3(H3236)(H313334)
MFCD14730243
N(24DIMETHYLPHENYL)2(3METHYLBENZYLTHIO)5METHYL7(4FLUOROPHENYL)47DIHYDRO(124)TRIAZOLO(23A)PYRIMIDINE6CARBOXAMIDE
N(24dimethylphenyl)7(4fluorophenyl)5methyl2((3methylbenzyl)sulfanyl)47dihydro(124)triazolo(15a)pyrimidine6carboxamide
N(24dimethylphenyl)7(4fluorophenyl)5methyl2((3methylphenyl)methylsulfanyl)17dihydro(124)triazolo(15a)pyrimidine6carboxamide
ZINC000009942485
ZINC000009942490
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