Vitas-M small molecule compound
(5aS,9S,9aS)-1-amino-4-cyano-9-iodo-3-(methylsulfanyl)-5a,6,7,8,9,9a-hexahydropyrimido[6,1-b][1,3]benzothiazol-10-ium
Catalog ID
STL181804
SMILES N#Cc1c(SC)nc([n+]2c1S[C@@H]1[C@H]2[C@@H](I)CCC1)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 C12H14IN4S2 MW 405.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13IN4S2/c1-18-10-6(5-14)11-17(12(15)16-10)9-7(13)3-2-4-8(9)19-11/h7-9,15H,2-4H2,1H3/p+1/t7-,8-,9+/m0/s1InChIKey
RSFQCTTUXCRVTN-XHNCKOQMSA-OSynonyms
(5aS9S9aS)1amino4cyano9iodo3(methylsulfanyl)5a67899ahexahydropyrimido(61b)(13)benzothiazol10ium
(5aS9S9aS)1amino9iodo3methylsulfanyl5a67899ahexahydropyrimido(61b)(13)benzothiazol10ium4carbonitrile
CSC1=C(C2=(N+)(C3C(S2)CCCC3I)C(=N1)N)C#N
InChI=1SC12H13IN4S2c118106(514)1117(12(15)1610)97(13)3248(9)1911h7915H24H21H3p+1t789+m0s1
N#Cc1c(SC)nc((n+)2c1S(C@@H)1(C@H)2(C@@H)(I)CCC1)N
ZINC000334157116
ZINC05353710
ZINC5353710
Check stock
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