Vitas-M small molecule compound
3,4-dichloro-6-ethoxy-2-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-ium-2-yl)phenolate
Catalog ID
STL038382
SMILES CCOc1cc(Cl)c(c(c1[O-])C1N=C(O)c2c(N1)sc1c2CC[NH+](C1)C)Cl
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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 C18H19Cl2N3O3S MW 428.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19Cl2N3O3S/c1-3-26-10-6-9(19)14(20)13(15(10)24)16-21-17(25)12-8-4-5-23(2)7-11(8)27-18(12)22-16/h6,16,22,24H,3-5,7H2,1-2H3,(H,21,25)InChIKey
NYAOIZJXJZAAAS-UHFFFAOYSA-NSynonyms
497079-60-42(23dichloro5ethoxy6hydroxyphenyl)7methyl123568hexahydropyrido(23)thieno(24d)pyrimidin4one
34dichloro6ethoxy2(4hydroxy7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin7ium2yl)phenolate
497079604
CCOC1=CC(=C(C(=C1O)C2NC3=C(C4=C(S3)CN(CC4)C)C(=O)N2)Cl)Cl
CCOc1cc(Cl)c(c(c1(O))C1N=C(O)c2c(N1)sc1c2CC(NH+)(C1)C)Cl
InChI=1SC18H19Cl2N3O3Sc13261069(19)14(20)13(15(10)24)162117(25)1284523(2)711(8)2718(12)2216h6162224H357H212H3(H2125)
MFCD18247612
ZINC000009333882
ZINC000009333884
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