Vitas-M small molecule compound
ethyl 5'-amino-6'-cyano-2',5-dimethyl-2-oxo-1,2-dihydrospiro[indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate
Catalog ID
STK782472
SMILES CCOC(=O)c1c(C)sc2c1OC(=C(C12C(=O)Nc2c1cc(C)cc2)C#N)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 C20H17N3O4S MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O4S/c1-4-26-18(24)14-10(3)28-16-15(14)27-17(22)12(8-21)20(16)11-7-9(2)5-6-13(11)23-19(20)25/h5-7H,4,22H2,1-3H3,(H,23,25)InChIKey
DLRPIJNSYPDGGN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1OC(=C(C23C4=C(C=CC(=C4)C)NC3=O)C#N)N)C
ethyl5amino6cyano25dimethyl2oxo12dihydrospiro(indole37thieno(32b)pyran)3carboxylate
ETHYL5AMINO6CYANO25DIMETHYL2OXOSPIRO(1HINDOLE37THIENO(32B)PYRAN)3CARBOXYLATE
InChI=1SC20H17N3O4Sc142618(24)1410(3)281615(14)2717(22)12(821)20(16)1179(2)5613(11)2319(20)25h57H422H213H3(H2325)
MFCD06017641
ZINC000004742348
ZINC000004742350
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