Vitas-M small molecule compound
3-{[(E)-{3-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-4-methoxyphenyl}methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL372294
SMILES COc1ccc(cc1Oc1nc(Cl)ncc1F)/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 C22H17ClFN5O3S MW 485.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClFN5O3S/c1-31-15-7-6-12(8-16(15)32-19-14(24)10-25-22(23)28-19)9-27-29-11-26-20-18(21(29)30)13-4-2-3-5-17(13)33-20/h6-11H,2-5H2,1H3/b27-9+InChIKey
TXCFHEHVHRBHBF-OXUBWTJQSA-NSynonyms
3(((E)(3((2chloro5fluoropyrimidin4yl)oxy)4methoxyphenyl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(3(2chloro5fluoropyrimidin4yl)oxy4methoxyphenyl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
COC1=C(C=C(C=C1)C=NN2C=NC3=C(C2=O)C4=C(S3)CCCC4)OC5=NC(=NC=C5F)Cl
COc1ccc(cc1Oc1nc(Cl)ncc1F)C=Nn1cnc2c(c1=O)c1CCCCc1s2
InChI=1SC22H17ClFN5O3Sc131157612(816(15)321914(24)102522(23)2819)9272911262018(21(29)30)13423517(13)3320h611H25H21H3b279+
MFCD03159077
ZINC000015224362
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