Vitas-M small molecule compound

3-({(E)-[5-(phenylsulfanyl)furan-2-yl]methylidene}amino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STK155118
SMILES O=c1n(/N=C/c2ccc(o2)Sc2ccccc2)cnc2c1c1CCCCc1s2

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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 C21H17N3O2S2 MW 407.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O2S2/c25-21-19-16-8-4-5-9-17(16)28-20(19)22-13-24(21)23-12-14-10-11-18(26-14)27-15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9H2/b23-12+
InChIKey
LMMSPULODIXVPQ-FSJBWODESA-N
Synonyms

3(((E)(5(phenylsulfanyl)furan2yl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(5phenylsulfanylfuran2yl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CC=C(O4)SC5=CC=CC=C5
InChI=1SC21H17N3O2S2c25211916845917(16)2820(19)221324(21)231214101118(2614)27156213715h13671013H4589H2b2312+
MFCD06663002
O=c1n(N=Cc2ccc(o2)Sc2ccccc2)cnc2c1c1CCCCc1s2
ZINC000004695183
ZINC35339643

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Available files

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