Vitas-M small molecule compound
3-(2,6-dichlorophenyl)-5-methyl-N-{[(1R,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}-1,2-oxazole-4-carboxamide
Catalog ID
STK686599
SMILES S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl
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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 C23H20Cl2N4O3S MW 503.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20Cl2N4O3S/c1-12-19(21(27-32-12)20-15(24)4-2-5-16(20)25)22(31)26-23(33)28-9-13-8-14(11-28)17-6-3-7-18(30)29(17)10-13/h2-7,13-14H,8-11H2,1H3,(H,26,31,33)/t13-,14+/m0/s1InChIKey
OKRMAAHCWGGCKE-UONOGXRCSA-NSynonyms
3(26dichlorophenyl)5methylN(((1R5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)12oxazole4carboxamide
3(26dichlorophenyl)5methylN((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbonothioyl)isoxazole4carboxamide
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC(=S)N3CC4CC(C3)C5=CC=CC(=O)N5C4
InChI=1SC23H20Cl2N4O3Sc11219(21(273212)2015(24)42516(20)25)22(31)2623(33)28913814(1128)1763718(30)29(17)1013h271314H811H21H3(H263133)t1314+m1s1
MFCD18246941
S=C(N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl
S=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl
ZINC000002091292
ZINC02091293
ZINC2091293
Check stock
See real-time availability and sample size for STK686599 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.