Vitas-M small molecule compound
(1S,5R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Catalog ID
STK779861
SMILES S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Nc1cc(ccc1Cl)C(F)(F)F
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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 C19H17ClF3N3OS MW 427.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClF3N3OS/c20-14-5-4-13(19(21,22)23)7-15(14)24-18(28)25-8-11-6-12(10-25)16-2-1-3-17(27)26(16)9-11/h1-5,7,11-12H,6,8-10H2,(H,24,28)/t11-,12+/m0/s1InChIKey
CRFOFYRSIBPBIW-NWDGAFQWSA-NSynonyms
(1R5R)N(2chloro5(trifluoromethyl)phenyl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carbothioamide
(1S5R)N(2chloro5(trifluoromethyl)phenyl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carbothioamide
C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=S)NC4=C(C=CC(=C4)C(F)(F)F)Cl
InChI=1SC19H17ClF3N3OSc20145413(19(2122)23)715(14)2418(28)25811612(1025)1621317(27)26(16)911h1571112H6810H2(H2428)t1112+m1s1
MFCD13372216
S=C(N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)Nc1cc(ccc1Cl)C(F)(F)F
S=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Nc1cc(ccc1Cl)C(F)(F)F
ZINC000001067300
ZINC01067298
ZINC1067298
Check stock
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