Vitas-M small molecule compound
ethyl 5'-amino-6'-cyano-1-(3-fluorobenzyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate
Catalog ID
STK783037
SMILES CCOC(=O)c1c(C)sc2c1OC(=C(C12c2ccccc2N(C1=O)Cc1cccc(c1)F)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 C26H20FN3O4S MW 489.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20FN3O4S/c1-3-33-24(31)20-14(2)35-22-21(20)34-23(29)18(12-28)26(22)17-9-4-5-10-19(17)30(25(26)32)13-15-7-6-8-16(27)11-15/h4-11H,3,13,29H2,1-2H3InChIKey
QTWIEXUJLLRYHC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1OC(=C(C23C4=CC=CC=C4N(C3=O)CC5=CC(=CC=C5)F)C#N)N)C
ETHYL5AMINO6CYANO1((3FLUOROPHENYL)METHYL)2METHYL2OXOSPIRO(INDOLE37THIENO(32B)PYRAN)3CARBOXYLATE
ethyl5amino6cyano1(3fluorobenzyl)2methyl2oxo12dihydrospiro(indole37thieno(32b)pyran)3carboxylate
InChI=1SC26H20FN3O4Sc133324(31)2014(2)352221(20)3423(29)18(1228)26(22)179451019(17)30(25(26)32)131576816(27)1115h411H31329H212H3
MFCD06617417
ZINC000012413809
ZINC000012413811
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