Vitas-M small molecule compound
methyl 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
STK783036
SMILES COC(=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 C25H18FN3O4S MW 475.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18FN3O4S/c1-13-19(23(30)32-2)20-21(34-13)25(17(11-27)22(28)33-20)16-8-3-4-9-18(16)29(24(25)31)12-14-6-5-7-15(26)10-14/h3-10H,12,28H2,1-2H3InChIKey
MDIAOZZFDNJKLR-UHFFFAOYSA-NSynonyms
CC1=C(C2=C(S1)C3(C4=CC=CC=C4N(C3=O)CC5=CC(=CC=C5)F)C(=C(O2)N)C#N)C(=O)OC
InChI=1SC25H18FN3O4Sc11319(23(30)322)2021(3413)25(17(1127)22(28)3320)16834918(16)29(24(25)31)121465715(26)1014h310H1228H212H3
METHYL5AMINO6CYANO1((3FLUOROPHENYL)METHYL)2METHYL2OXOSPIRO(INDOLE37THIENO(32B)PYRAN)3CARBOXYLATE
methyl5amino6cyano1(3fluorobenzyl)2methyl2oxo12dihydrospiro(indole37thieno(32b)pyran)3carboxylate
MFCD06617416
ZINC000012372295
ZINC000012372296
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