Vitas-M small molecule compound
2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
Catalog ID
STK047446
SMILES O=C(Nc1ncc2c(n1)CC(CC2=O)c1ccccc1)CSc1nnc(n1C1CCCCC1)c1cccnc1
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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 C29H29N7O2S MW 539.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N7O2S/c37-25-15-21(19-8-3-1-4-9-19)14-24-23(25)17-31-28(32-24)33-26(38)18-39-29-35-34-27(20-10-7-13-30-16-20)36(29)22-11-5-2-6-12-22/h1,3-4,7-10,13,16-17,21-22H,2,5-6,11-12,14-15,18H2,(H,31,32,33,38)InChIKey
MZHJYBXXAGHYNR-UHFFFAOYSA-NSynonyms
524062-21-32((4cyclohexyl5(pyridin3yl)4H124triazol3yl)sulfanyl)N(5oxo7phenyl5678tetrahydroquinazolin2yl)acetamide
2((4cyclohexyl5(pyridin3yl)4H124triazol3yl)thio)N(5oxo7phenyl5678tetrahydroquinazolin2yl)acetamide
2((4CYCLOHEXYL5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)N(5OXO7PHENYL78DIHYDRO6HQUINAZOLIN2YL)ACETAMIDE
524062213
C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=NC=C4C(=N3)CC(CC4=O)C5=CC=CC=C5)C6=CN=CC=C6
InChI=1SC29H29N7O2Sc37251521(198314919)142423(25)173128(3224)3326(38)183929353427(2010713301620)36(29)22115261222h1347101316172122H2561112141518H2(H31323338)
MFCD03194983
O=C(Nc1ncc2c(n1)CC(CC2=O)c1ccccc1)CSc1nnc(n1C1CCCCC1)c1cccnc1
STK047446
ZINC000002743580
ZINC000002743581
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.