Vitas-M small molecule compound
ethyl 2-{2,5-dimethyl-3-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK144960
SMILES CCOC(=O)c1c(C)c(sc1n1c(C)cc(c1C)/C=c/1\sc2n(c1=O)c1c(n2)cccc1)C
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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 C25H23N3O3S2 MW 477.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3S2/c1-6-31-24(30)21-14(3)16(5)32-23(21)27-13(2)11-17(15(27)4)12-20-22(29)28-19-10-8-7-9-18(19)26-25(28)33-20/h7-12H,6H2,1-5H3/b20-12-InChIKey
KHSJNVOKGABGGN-NDENLUEZSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C)N2C(=CC(=C2C)C=C3C(=O)N4C5=CC=CC=C5N=C4S3)C
CCOC(=O)c1c(C)c(sc1n1c(C)cc(c1C)C=c1sc2n(c1=O)c1c(n2)cccc1)C
ETHYL2(25DIMETHYL3((Z)(1OXO(13)THIAZOLO(32A)BENZIMIDAZOL2YLIDENE)METHYL)PYRROL1YL)45DIMETHYLTHIOPHENE3CARBOXYLATE
ETHYL2(25DIMETHYL3((Z)(3OXO(13)THIAZOLO(32A)BENZIMIDAZOL2(3H)YLIDENE)METHYL)1HPYRROL1YL)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC25H23N3O3S2c163124(30)2114(3)16(5)3223(21)2713(2)1117(15(27)4)122022(29)28191087918(19)2625(28)3320h712H6H215H3b2012
MFCD03246989
ZINC000013880457
ZINC13880457
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