Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Catalog ID
STL031231
SMILES Cc1ccc2c(c1)N(CCO2)C(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2c1ccs2
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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 C25H21N3O6S MW 491.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O6S/c1-15-2-4-19-18(10-15)26(7-8-32-19)22(29)13-27-17-6-9-35-23(17)24(30)28(25(27)31)12-16-3-5-20-21(11-16)34-14-33-20/h2-6,9-11H,7-8,12-14H2,1H3InChIKey
HTDAKIHAPFVTQU-UHFFFAOYSA-NSynonyms
3(13benzodioxol5ylmethyl)1(2(6methyl23dihydro14benzoxazin4yl)2oxoethyl)thieno(32d)pyrimidine24dione
3(13benzodioxol5ylmethyl)1(2(6methyl23dihydro4H14benzoxazin4yl)2oxoethyl)thieno(32d)pyrimidine24(1H3H)dione
CC1=CC2=C(C=C1)OCCN2C(=O)CN3C4=C(C(=O)N(C3=O)CC5=CC6=C(C=C5)OCO6)SC=C4
InChI=1SC25H21N3O6Sc115241918(1015)26(783219)22(29)132717693523(17)24(30)28(25(27)31)1216352021(1116)34143320h26911H781214H21H3
MFCD18191295
ZINC000067673603
ZINC67673603
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