Vitas-M small molecule compound
(5Z)-3-{2-oxo-2-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl}-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
Catalog ID
STL534346
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CN1C(=O)S/C(=C\c2cccs2)/C1=O
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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 C21H19N3O4S2 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S2/c25-18-5-1-4-16-14-7-13(10-23(16)18)9-22(11-14)19(26)12-24-20(27)17(30-21(24)28)8-15-3-2-6-29-15/h1-6,8,13-14H,7,9-12H2/b17-8-/t13-,14+/m0/s1InChIKey
AXXQLMJSEOMOIG-LXMRNRCJSA-NSynonyms
(5Z)3(2oxo2((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)5(thiophen2ylmethylidene)13thiazolidine24dione
(Z)3(2oxo2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)5(thiophen2ylmethylene)thiazolidine24dione
InChI=1SC21H19N3O4S2c25185141614713(1023(16)18)922(1114)19(26)122420(27)17(3021(24)28)8153262915h1681314H7912H2b178t1314+m0s1
MFCD06770103
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)CN1C(=O)SC(=Cc2cccs2)C1=O
ZINC000012887518
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