Vitas-M small molecule compound
(4aR,7aS)-1-(3-chloro-4-methoxyphenyl)-4-[2-(thiophen-2-yl)ethyl]hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK643771
SMILES COc1ccc(cc1Cl)N1C(=O)CN([C@@H]2[C@H]1CS(=O)(=O)C2)CCc1cccs1
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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 C19H21ClN2O4S2 MW 440.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN2O4S2/c1-26-18-5-4-13(9-15(18)20)22-17-12-28(24,25)11-16(17)21(10-19(22)23)7-6-14-3-2-8-27-14/h2-5,8-9,16-17H,6-7,10-12H2,1H3/t16-,17+/m0/s1InChIKey
CDEHTROZQHCAPW-DLBZAZTESA-NSynonyms
1212452-31-7(4aR7aS)1(3chloro4methoxyphenyl)4(2(thiophen2yl)ethyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)4(3chloro4methoxyphenyl)66dioxo1(2thiophen2ylethyl)4a577atetrahydro2Hthieno(34b)pyrazin3one
1212452317
COC1=C(C=C(C=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CCC4=CC=CS4)Cl
COc1ccc(cc1Cl)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)CCc1cccs1
InChI=1SC19H21ClN2O4S2c126185413(915(18)20)22171228(2425)1116(17)21(1019(22)23)76143282714h25891617H671012H21H3t1617+m0s1
MFCD18246734
ZINC000055408650
ZINC55408650
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