Vitas-M small molecule compound
4-{5-[(E)-(7,8-dimethyl-3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STK675315
SMILES OC(=O)c1ccc(cc1)c1ccc(o1)/C=c\1/sc2n(c1=O)c1c(n2)c(C)c(cc1)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 C23H16N2O4S MW 416.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N2O4S/c1-12-3-9-17-20(13(12)2)24-23-25(17)21(26)19(30-23)11-16-8-10-18(29-16)14-4-6-15(7-5-14)22(27)28/h3-11H,1-2H3,(H,27,28)/b19-11+InChIKey
HNJODXULZZVSEA-YBFXNURJSA-NSynonyms
4(5((E)(56DIMETHYL1OXO(13)THIAZOLO(32A)BENZIMIDAZOL2YLIDENE)METHYL)FURAN2YL)BENZOICACID
4(5((E)(78dimethyl3oxo(13)thiazolo(32a)benzimidazol2(3H)ylidene)methyl)furan2yl)benzoicacid
CC1=C(C2=C(C=C1)N3C(=O)C(=CC4=CC=C(O4)C5=CC=C(C=C5)C(=O)O)SC3=N2)C
InChI=1SC23H16N2O4Sc112391720(13(12)2)242325(17)21(26)19(3023)111681018(2916)144615(7514)22(27)28h311H12H3(H2728)b1911+
MFCD01571975
OC(=O)c1ccc(cc1)c1ccc(o1)C=c1sc2n(c1=O)c1c(n2)c(C)c(cc1)C
ZINC000008854944
ZINC8854944
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