Vitas-M small molecule compound
1-(4-fluorophenyl)-2-[3-methoxy-4-(propan-2-yloxy)phenyl]-4-oxo-6-sulfanyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Catalog ID
STL017285
SMILES N#CC1=C(S)N(C(NC1=O)c1ccc(c(c1)OC)OC(C)C)c1ccc(cc1)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 C21H20FN3O3S MW 413.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN3O3S/c1-12(2)28-17-9-4-13(10-18(17)27-3)19-24-20(26)16(11-23)21(29)25(19)15-7-5-14(22)6-8-15/h4-10,12,19,29H,1-3H3,(H,24,26)InChIKey
CRGVOHPKYVUTRN-UHFFFAOYSA-NSynonyms
1(4fluorophenyl)2(3methoxy4(propan2yloxy)phenyl)4oxo6sulfanyl1234tetrahydropyrimidine5carbonitrile
3(4FLUOROPHENYL)2(3METHOXY4(METHYLETHOXY)PHENYL)6OXO4SULFANYL123TRIHYDROPYRIMIDINE5CARBONITRILE
3(4FLUOROPHENYL)2(3METHOXY4PROPAN2YLOXYPHENYL)6OXO4SULFANYL12DIHYDROPYRIMIDINE5CARBONITRILE
CC(C)OC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=C(C=C3)F)S)C#N)OC
InChI=1SC21H20FN3O3Sc112(2)28179413(1018(17)273)192420(26)16(1123)21(29)25(19)157514(22)6815h410121929H13H3(H2426)
MFCD05847255
ZINC000004513987
ZINC000004513989
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