Vitas-M small molecule compound
2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[(5E)-5-(4-ethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide
Catalog ID
STL368212
SMILES CCOc1ccc(cc1)/C=C\1/SC(=S)N(C1=O)NC(=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 C22H18ClN3O5S2 MW 503.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN3O5S2/c1-2-30-15-6-3-13(4-7-15)9-18-21(29)26(22(32)33-18)24-19(27)11-25-16-10-14(23)5-8-17(16)31-12-20(25)28/h3-10H,2,11-12H2,1H3,(H,24,27)/b18-9+InChIKey
KBJGXBZUFVRFQB-GIJQJNRQSA-NSynonyms
2(6chloro3oxo14benzoxazin4yl)N((5E)5((4ethoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)acetamide
2(6chloro3oxo23dihydro4H14benzoxazin4yl)N((5E)5(4ethoxybenzylidene)4oxo2thioxo13thiazolidin3yl)acetamide
CCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)Cl
CCOc1ccc(cc1)C=C1SC(=S)N(C1=O)NC(=O)CN1C(=O)COc2c1cc(Cl)cc2
InChI=1SC22H18ClN3O5S2c1230156313(4715)91821(29)26(22(32)3318)2419(27)1125161014(23)5817(16)311220(25)28h310H21112H21H3(H2427)b189+
MFCD28952071
ZINC000098086450
ZINC98086450
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