Vitas-M small molecule compound
2-(4-methoxy-3-nitrophenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Catalog ID
STL040522
SMILES COc1ccc(cc1[N+](=O)[O-])c1nc(O)c2c(n1)sc1c2CCCC1
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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 C17H15N3O4S MW 357.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O4S/c1-24-12-7-6-9(8-11(12)20(22)23)15-18-16(21)14-10-4-2-3-5-13(10)25-17(14)19-15/h6-8H,2-5H2,1H3,(H,18,19,21)InChIKey
BCVZDBFZRYDTRR-UHFFFAOYSA-NSynonyms
357618-45-22(4methoxy3nitrophenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4ol
2(4methoxy3nitrophenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
357618452
COC1=C(C=C(C=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))c1nc(O)c2c(n1)sc1c2CCCC1
InChI=1SC17H15N3O4Sc12412769(811(12)20(22)23)151816(21)1410423513(10)2517(14)1915h68H25H21H3(H181921)
MFCD05732754
ZINC000017248843
ZINC17248843
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