Vitas-M small molecule compound
2-[3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-(4-fluorophenyl)acetamide
Catalog ID
STL145583
SMILES COc1ccc(cc1OC)CCNC(=O)Cn1c(=O)c2sccc2n(c1=O)CC(=O)Nc1ccc(cc1)F
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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 C26H25FN4O6S MW 540.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25FN4O6S/c1-36-20-8-3-16(13-21(20)37-2)9-11-28-22(32)14-31-25(34)24-19(10-12-38-24)30(26(31)35)15-23(33)29-18-6-4-17(27)5-7-18/h3-8,10,12-13H,9,11,14-15H2,1-2H3,(H,28,32)(H,29,33)InChIKey
RRBGHFIFFLUJMF-UHFFFAOYSA-NSynonyms
2(3(2((2(34dimethoxyphenyl)ethyl)amino)2oxoethyl)24dioxo34dihydrothieno(32d)pyrimidin1(2H)yl)N(4fluorophenyl)acetamide
2(3(2(2(34DIMETHOXYPHENYL)ETHYLAMINO)2OXOETHYL)24DIOXOTHIENO(32D)PYRIMIDIN1YL)N(4FLUOROPHENYL)ACETAMIDE
COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NC4=CC=C(C=C4)F)OC
InChI=1SC26H25FN4O6Sc136208316(1321(20)372)9112822(32)143125(34)2419(10123824)30(26(31)35)1523(33)29186417(27)5718h38101213H9111415H212H3(H2832)(H2933)
MFCD05899668
ZINC000002690278
ZINC2690278
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