Vitas-M small molecule compound
7-(2-chlorophenyl)-N-(2,4-dimethylphenyl)-5-methyl-2-[(3-methylbenzyl)sulfanyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STL200331
SMILES Cc1ccc(c(c1)C)NC(=O)C1C(C)Nc2n(C1c1ccccc1Cl)nc(n2)SCc1cccc(c1)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 C29H30ClN5OS MW 532.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClN5OS/c1-17-8-7-9-21(15-17)16-37-29-33-28-31-20(4)25(27(36)32-24-13-12-18(2)14-19(24)3)26(35(28)34-29)22-10-5-6-11-23(22)30/h5-15,20,25-26H,16H2,1-4H3,(H,32,36)(H,31,33,34)InChIKey
ROKHPQBRFOXBAN-UHFFFAOYSA-NSynonyms
7(2chlorophenyl)N(24dimethylphenyl)5methyl2((3methylbenzyl)sulfanyl)4567tetrahydro(124)triazolo(15a)pyrimidine6carboxamide
7(2chlorophenyl)N(24dimethylphenyl)5methyl2((3methylphenyl)methylsulfanyl)1567tetrahydro(124)triazolo(15a)pyrimidine6carboxamide
CC1C(C(N2C(=N1)N=C(N2)SCC3=CC=CC(=C3)C)C4=CC=CC=C4Cl)C(=O)NC5=C(C=C(C=C5)C)C
InChI=1SC29H30ClN5OSc11787921(1517)16372933283120(4)25(27(36)3224131218(2)1419(24)3)26(35(28)3429)2210561123(22)30h515202526H16H214H3(H3236)(H313334)
MFCD24858146
ZINC000107173501
ZINC000201877713
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