Vitas-M small molecule compound

methyl 5'-amino-6'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate

Catalog ID
STK782358
SMILES COC(=O)c1c(C)sc2c1OC(=C(C12C(=O)Nc2c1cccc2)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 C18H13N3O4S MW 367.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O4S/c1-8-12(16(22)24-2)13-14(26-8)18(10(7-19)15(20)25-13)9-5-3-4-6-11(9)21-17(18)23/h3-6H,20H2,1-2H3,(H,21,23)
InChIKey
QKBRVAPKHJIKRW-UHFFFAOYSA-N
Synonyms

CC1=C(C2=C(S1)C3(C4=CC=CC=C4NC3=O)C(=C(O2)N)C#N)C(=O)OC
InChI=1SC18H13N3O4Sc1812(16(22)242)1314(268)18(10(719)15(20)2513)9534611(9)2117(18)23h36H20H212H3(H2123)
methyl5amino6cyano2methyl2oxo12dihydrospiro(indole37thieno(32b)pyran)3carboxylate
METHYL5AMINO6CYANO2METHYL2OXOSPIRO(1HINDOLE37THIENO(32B)PYRAN)3CARBOXYLATE
MFCD06017464
ZINC000004728126
ZINC000004728127

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.