Vitas-M small molecule compound
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(10-fluoro-6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)acetamide
Catalog ID
STK586233
SMILES COc1ccc(cc1OC)CCNC(=O)Cn1c2ccc(cc2c2c1c(=O)n1c(n2)SCCC1)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 C25H25FN4O4S MW 496.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN4O4S/c1-33-19-7-4-15(12-20(19)34-2)8-9-27-21(31)14-30-18-6-5-16(26)13-17(18)22-23(30)24(32)29-10-3-11-35-25(29)28-22/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,27,31)InChIKey
YOVSXBPUZPVLQA-UHFFFAOYSA-NSynonyms
879578-32-2879578322
COC1=C(C=C(C=C1)CCNC(=O)CN2C3=C(C=C(C=C3)F)C4=C2C(=O)N5CCCSC5=N4)OC
InChI=1SC25H25FN4O4Sc133197415(1220(19)342)892721(31)1430186516(26)1317(18)2223(30)24(32)29103113525(29)2822h471213H381114H212H3(H2731)
MFCD07641032
N(2(34dimethoxyphenyl)ethyl)2(10fluoro6oxo34dihydro2H(13)thiazino(3212)pyrimido(54b)indol7(6H)yl)acetamide
N(34dimethoxyphenethyl)2(10fluoro6oxo34dihydro2H(13)thiazino(3212)pyrimido(54b)indol7(6H)yl)acetamide
ZINC000008974765
ZINC08974765
ZINC8974765
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