Vitas-M small molecule compound
N-[(3aR,6aR)-4-bromo-3a-methyl-5,5-dioxidotetrahydrothieno[3,4-d][1,3]dithiol-2-ylidene]-N-ethylethanaminium
Catalog ID
STK900150
SMILES CC[N+](=C1S[C@H]2[C@](S1)(C)C(S(=O)(=O)C2)Br)CC
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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 C10H17BrNO2S3 MW 359.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H17BrNO2S3/c1-4-12(5-2)9-15-7-6-17(13,14)8(11)10(7,3)16-9/h7-8H,4-6H2,1-3H3/q+1/t7-,8?,10-/m1/s1InChIKey
FRMKYBPDTMRMMI-HUWCLSLFSA-NSynonyms
((3aR6aR)4bromo3amethyl55dioxo66adihydro4Hthieno(34d)(13)dithiol2ylidene)diethylazanium
CC(N+)(=C1S(C@H)2(C@)(S1)(C)C(S(=O)(=O)C2)Br)CC
CC(N+)(=C1S(C@H)2(C@)(S1)(C)C(S(=O)(=O)C2)Br)CC(Br)
CC(N+)(=C1SC2CS(=O)(=O)C(C2(S1)C)Br)CC
InChI=1SC10H17BrNO2S3c1412(52)9157617(1314)8(11)10(73)169h78H46H213H3q+1t78?10m1s1
N((3aR6aR)4bromo3amethyl55dioxidotetrahydrothieno(34d)(13)dithiol2ylidene)Nethylethanaminium
N((3aR6aR)4bromo3amethyl55dioxidotetrahydrothieno(34d)(13)dithiol2ylidene)Nethylethanaminiumbromide
ZINC000004371335
ZINC000004371340
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