Vitas-M small molecule compound
(4aR,7aS)-4-benzyl-1-(3-chloro-4-methoxyphenyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide
Catalog ID
STK642006
SMILES COc1ccc(cc1Cl)N1C(=O)CN([C@@H]2[C@H]1CS(=O)(=O)C2)Cc1ccccc1
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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 C20H21ClN2O4S MW 420.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O4S/c1-27-19-8-7-15(9-16(19)21)23-18-13-28(25,26)12-17(18)22(11-20(23)24)10-14-5-3-2-4-6-14/h2-9,17-18H,10-13H2,1H3/t17-,18+/m0/s1InChIKey
NMNLXHXISSGKEQ-ZWKOTPCHSA-NSynonyms
1212480-41-5(4aR7aS)4benzyl1(3chloro4methoxyphenyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)1benzyl4(3chloro4methoxyphenyl)66dioxo4a577atetrahydro2Hthieno(34b)pyrazin3one
1212480415
COC1=C(C=C(C=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CC4=CC=CC=C4)Cl
COc1ccc(cc1Cl)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)Cc1ccccc1
InChI=1SC20H21ClN2O4Sc127198715(916(19)21)23181328(2526)1217(18)22(1120(23)24)10145324614h291718H1013H21H3t1718+m0s1
MFCD18246703
ZINC000055408630
ZINC55408630
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