Vitas-M small molecule compound
3-(5-chloro-2,4-dimethoxyphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
Catalog ID
STL180241
SMILES COc1cc(OC)c(cc1C1=NOC(C1)C(=O)Nc1sc2c(c1C#N)CCCC2)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 C21H20ClN3O4S MW 445.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O4S/c1-27-16-9-17(28-2)14(22)7-12(16)15-8-18(29-25-15)20(26)24-21-13(10-23)11-5-3-4-6-19(11)30-21/h7,9,18H,3-6,8H2,1-2H3,(H,24,26)InChIKey
PRWPKKQEBOMDQG-UHFFFAOYSA-NSynonyms
717830-69-83(5chloro24dimethoxyphenyl)N(3cyano4567tetrahydro1benzothiophen2yl)45dihydro12oxazole5carboxamide
717830698
COC1=CC(=C(C=C1C2=NOC(C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)Cl)OC
InChI=1SC21H20ClN3O4Sc12716917(282)14(22)712(16)15818(292515)20(26)242113(1023)11534619(11)3021h7918H368H212H3(H2426)
MFCD06006391
ZINC000001062033
ZINC000001062034
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