Vitas-M small molecule compound
4-{(E)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}phenyl 4-methoxybenzoate
Catalog ID
STL296242
SMILES COc1ccc(cc1)C(=O)Oc1ccc(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 C25H21N3O4S MW 459.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O4S/c1-31-18-12-8-17(9-13-18)25(30)32-19-10-6-16(7-11-19)14-27-28-15-26-23-22(24(28)29)20-4-2-3-5-21(20)33-23/h6-15H,2-5H2,1H3/b27-14+InChIKey
VEMGFDQUTFPMIO-MZJWZYIUSA-NSynonyms
370845-20-8(4((E)(4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)iminomethyl)phenyl)4methoxybenzoate
(E)4(((4oxo5678tetrahydrobenzo(45)thieno(23d)pyrimidin3(4H)yl)imino)methyl)phenyl4methoxybenzoate
370845208
4((E)((4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)imino)methyl)phenyl4methoxybenzoate
COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NN3C=NC4=C(C3=O)C5=C(S4)CCCC5
COc1ccc(cc1)C(=O)Oc1ccc(cc1)C=Nn1cnc2c(c1=O)c1CCCCc1s2
InChI=1SC25H21N3O4Sc1311812817(91318)25(30)321910616(71119)14272815262322(24(28)29)20423521(20)3323h615H25H21H3b2714+
MFCD01882748
ZINC000002309550
ZINC2309549
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