Vitas-M small molecule compound
4-phenyl-1,3-thiazol-2-aminium (6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
Catalog ID
STL373966
SMILES [NH3+]c1scc(n1)c1ccccc1.[O-]C(=O)CN1C(=O)COc2c1cc(Cl)cc2
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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 C19H16ClN3O4S MW 417.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H8ClNO4.C9H8N2S/c11-6-1-2-8-7(3-6)12(4-10(14)15)9(13)5-16-8;10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-3H,4-5H2,(H,14,15);1-6H,(H2,10,11)InChIKey
JEFGGBPWTJSHOW-UHFFFAOYSA-NSynonyms
(NH3+)c1scc(n1)c1ccccc1(O)C(=O)CN1C(=O)COc2c1cc(Cl)cc2
2(6chloro3oxo14benzoxazin4yl)aceticacid4phenyl13thiazol2amine
4phenyl13thiazol2aminium(6chloro3oxo23dihydro4H14benzoxazin4yl)acetate
C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(=O)OC1=CC=C(C=C1)C2=CSC(=N2)N
InChI=1SC10H8ClNO4C9H8N2Sc1161287(36)12(410(14)15)9(13)5168109118(6129)7421357h13H45H2(H1415)16H(H21011)
MFCD09219059
ZINC000004226263
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