Vitas-M small molecule compound
4-{2-[(4aS,7aR)-4-(3-methoxyphenyl)-6,6-dioxido-3-oxohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]ethyl}benzenesulfonamide
Catalog ID
STK639710
SMILES COc1cccc(c1)N1C(=O)CN([C@@H]2[C@H]1CS(=O)(=O)C2)CCc1ccc(cc1)S(=O)(=O)N
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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 C21H25N3O6S2 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O6S2/c1-30-17-4-2-3-16(11-17)24-20-14-31(26,27)13-19(20)23(12-21(24)25)10-9-15-5-7-18(8-6-15)32(22,28)29/h2-8,11,19-20H,9-10,12-14H2,1H3,(H2,22,28,29)/t19-,20+/m0/s1InChIKey
WOFOHJFKIQPNJU-VQTJNVASSA-NSynonyms
1214631-87-41214631874
4(2((4aS7aR)4(3methoxyphenyl)366trioxo4a577atetrahydro2Hthieno(34b)pyrazin1yl)ethyl)benzenesulfonamide
4(2((4aS7aR)4(3methoxyphenyl)66dioxido3oxohexahydrothieno(34b)pyrazin1(2H)yl)ethyl)benzenesulfonamide
COC1=CC=CC(=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CCC4=CC=C(C=C4)S(=O)(=O)N
COc1cccc(c1)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)CCc1ccc(cc1)S(=O)(=O)N
InChI=1SC21H25N3O6S2c1301742316(1117)24201431(2627)1319(20)23(1221(24)25)109155718(8615)32(2228)29h28111920H9101214H21H3(H2222829)t1920+m0s1
MFCD18246662
ZINC000057172966
ZINC57172966
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