Vitas-M small molecule compound
ethyl 4-hydroxy-2-(2,4,6-tribromo-3-hydroxyphenyl)-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK383960
SMILES CCOC(=O)N1CCc2c(C1)sc1c2C(=NC(N1)c1c(Br)cc(c(c1Br)O)Br)O
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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 C18H16Br3N3O4S MW 610.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16Br3N3O4S/c1-2-28-18(27)24-4-3-7-10(6-24)29-17-11(7)16(26)22-15(23-17)12-8(19)5-9(20)14(25)13(12)21/h5,15,23,25H,2-4,6H2,1H3,(H,22,26)InChIKey
KDGUWCBESITPSQ-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=C(C(=C(C=C4Br)Br)O)Br
ethyl4hydroxy2(246tribromo3hydroxyphenyl)1568tetrahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
ethyl4oxo2(246tribromo3hydroxyphenyl)123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
InChI=1SC18H16Br3N3O4Sc122818(27)2443710(624)291711(7)16(26)2215(2317)128(19)59(20)14(25)13(12)21h5152325H246H21H3(H2226)
MFCD03837034
ZINC000102092878
ZINC000102092881
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