Vitas-M small molecule compound
methyl 4-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}benzoate
Catalog ID
STL380417
SMILES COC(=O)c1ccc(cc1)/C=N/n1cnc2c(c1=O)c1CCCCc1s2
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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 C19H17N3O3S MW 367.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O3S/c1-25-19(24)13-8-6-12(7-9-13)10-21-22-11-20-17-16(18(22)23)14-4-2-3-5-15(14)26-17/h6-11H,2-5H2,1H3/b21-10+InChIKey
JNOIDOJIMCVXOE-UFFVCSGVSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C=NN2C=NC3=C(C2=O)C4=C(S3)CCCC4
COC(=O)c1ccc(cc1)C=Nn1cnc2c(c1=O)c1CCCCc1s2
InChI=1SC19H17N3O3Sc12519(24)138612(7913)10212211201716(18(22)23)14423515(14)2617h611H25H21H3b2110+
methyl4((E)((4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)imino)methyl)benzoate
methyl4((E)(4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)iminomethyl)benzoate
MFCD03863558
ZINC000000980685
ZINC980684
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Check stock on Vitas-MAvailable files
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