Vitas-M small molecule compound
(1S,2S,5R)-2-(2-thioxo-1,3-benzoxazol-3(2H)-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK746504
SMILES O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1c(=S)oc2c1cccc2
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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 C13H11NO4S MW 277.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11NO4S/c15-9-5-8(11-6-16-12(9)17-11)14-7-3-1-2-4-10(7)18-13(14)19/h1-4,8,11-12H,5-6H2/t8-,11-,12+/m0/s1InChIKey
KKRWBABMNAGPNP-KPXOXKRLSA-NSynonyms
(1S2S5R)2(2SULFANYLIDENE13BENZOXAZOL3YL)68DIOXABICYCLO(321)OCTAN4ONE
(1S2S5R)2(2thioxo13benzoxazol3(2H)yl)68dioxabicyclo(321)octan4one(nonpreferredname)
C1C(C2COC(C1=O)O2)N3C4=CC=CC=C4OC3=S
InChI=1SC13H11NO4Sc15958(1161612(9)1711)147312410(7)1813(14)19h1481112H56H2t811+12+m0s1
MFCD13372005
O=C1C(C@@H)((C@@H)2O(C@H)1OC2)n1c(=S)oc2c1cccc2
ZINC000000058322
ZINC00058322
ZINC58322
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