Vitas-M small molecule compound

3-{5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl}benzoic acid

Catalog ID
STK330207
SMILES N#C/C(=C\c1ccc(o1)c1cccc(c1)C(=O)O)/c1nc2c(s1)cccc2

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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 C21H12N2O3S MW 372.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12N2O3S/c22-12-15(20-23-17-6-1-2-7-19(17)27-20)11-16-8-9-18(26-16)13-4-3-5-14(10-13)21(24)25/h1-11H,(H,24,25)/b15-11+
InChIKey
BONVKWLVTVNASZ-RVDMUPIBSA-N
Synonyms

3(5((1E)2BENZOTHIAZOL2YL2CYANOVINYL)2FURYL)BENZOICACID
3(5((E)2(13benzothiazol2yl)2cyanoethenyl)furan2yl)benzoicacid
C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C#N
InChI=1SC21H12N2O3Sc221215(202317612719(17)2720)11168918(2616)1343514(1013)21(24)25h111H(H2425)b1511+
MFCD01785239
N#CC(=Cc1ccc(o1)c1cccc(c1)C(=O)O)c1nc2c(s1)cccc2
ZINC000005777541
ZINC5777541

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Available files

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