Vitas-M small molecule compound

4-chloro-3-(5-{(E)-[6-(ethoxycarbonyl)-3-oxo-7-phenyl-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid

Catalog ID
STK325876
SMILES CCOC(=O)C1=C(N=c2n(C1c1cccs1)c(=O)/c(=C\c1ccc(o1)c1cc(ccc1Cl)C(=O)O)/s2)c1ccccc1

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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 C31H21ClN2O6S2 MW 617.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H21ClN2O6S2/c1-2-39-30(38)25-26(17-7-4-3-5-8-17)33-31-34(27(25)23-9-6-14-41-23)28(35)24(42-31)16-19-11-13-22(40-19)20-15-18(29(36)37)10-12-21(20)32/h3-16,27H,2H2,1H3,(H,36,37)/b24-16+
InChIKey
CAFPQJOSWRNKKS-LFVJCYFKSA-N
Synonyms

4chloro3(5((E)(6(ethoxycarbonyl)3oxo7phenyl5(thiophen2yl)5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)furan2yl)benzoicacid
4chloro3(5((E)(6ethoxycarbonyl3oxo7phenyl5thiophen2yl5H(13)thiazolo(32a)pyrimidin2ylidene)methyl)furan2yl)benzoicacid
CCOC(=O)C1=C(N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(o1)c1cc(ccc1Cl)C(=O)O)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC=C(O4)C5=C(C=CC(=C5)C(=O)O)Cl)S2)C6=CC=CC=C6
InChI=1SC31H21ClN2O6S2c123930(38)2526(177435817)333134(27(25)2396144123)28(35)24(4231)1619111322(4019)201518(29(36)37)101221(20)32h31627H2H21H3(H3637)b2416+
MFCD05149807
ZINC000097962552
ZINC000097962553

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Available files

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