Vitas-M small molecule compound

4-{2,5-dimethyl-3-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid

Catalog ID
STK161337
SMILES OC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=c/1\sc2n(c1=O)c1c(n2)cccc1

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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 C23H17N3O3S MW 415.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O3S/c1-13-11-16(14(2)25(13)17-9-7-15(8-10-17)22(28)29)12-20-21(27)26-19-6-4-3-5-18(19)24-23(26)30-20/h3-12H,1-2H3,(H,28,29)/b20-12-
InChIKey
WBRNYUCRCLWKMP-NDENLUEZSA-N
Synonyms

4(25DIMETHYL3((Z)(1OXO(13)THIAZOLO(32A)BENZIMIDAZOL2YLIDENE)METHYL)PYRROL1YL)BENZOICACID
4(25DIMETHYL3((Z)(3OXO(13)THIAZOLO(32A)BENZIMIDAZOL2(3H)YLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C3C(=O)N4C5=CC=CC=C5N=C4S3
InChI=1SC23H17N3O3Sc1131116(14(2)25(13)179715(81017)22(28)29)122021(27)2619643518(19)2423(26)3020h312H12H3(H2829)b2012
MFCD03250036
OC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=c1sc2n(c1=O)c1c(n2)cccc1
ZINC000004679402
ZINC4679402

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Available files

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