Vitas-M small molecule compound
ethyl 5'-amino-6'-cyano-1,2'-dimethyl-2-oxo-1,2-dihydrospiro[indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate
Catalog ID
STK782438
SMILES CCOC(=O)c1c(C)sc2c1OC(=C(C12c2ccccc2N(C1=O)C)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(2)28-16-15(14)27-17(22)12(9-21)20(16)11-7-5-6-8-13(11)23(3)19(20)25/h5-8H,4,22H2,1-3H3InChIKey
IHTOBSIWBJQHML-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1OC(=C(C23C4=CC=CC=C4N(C3=O)C)C#N)N)C
ethyl5amino6cyano12dimethyl2oxo12dihydrospiro(indole37thieno(32b)pyran)3carboxylate
ETHYL5AMINO6CYANO12DIMETHYL2OXOSPIRO(INDOLE37THIENO(32B)PYRAN)3CARBOXYLATE
InChI=1SC20H17N3O4Sc142618(24)1410(2)281615(14)2717(22)12(921)20(16)11756813(11)23(3)19(20)25h58H422H213H3
MFCD06017604
ZINC000004742199
ZINC000004742200
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