Vitas-M small molecule compound
methyl (2Z)-[9-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxo-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-2(3H)-ylidene]ethanoate
Catalog ID
STK993213
SMILES COC(=O)/C=c/1\sc2=NC3=C(C(n2c1=O)c1ccc(cc1)OC)CCCC3=C1SCCS1
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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 C23H22N2O4S3 MW 486.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O4S3/c1-28-14-8-6-13(7-9-14)20-15-4-3-5-16(22-30-10-11-31-22)19(15)24-23-25(20)21(27)17(32-23)12-18(26)29-2/h6-9,12,20H,3-5,10-11H2,1-2H3/b17-12-InChIKey
XEXPAYRLWAOXNW-ATVHPVEESA-NSynonyms
COC(=O)C=c1sc2=NC3=C(C(n2c1=O)c1ccc(cc1)OC)CCCC3=C1SCCS1
COC1=CC=C(C=C1)C2C3=C(C(=C4SCCS4)CCC3)N=C5N2C(=O)C(=CC(=O)OC)S5
InChI=1SC23H22N2O4S3c128148613(7914)201543516(223010113122)19(15)242325(20)21(27)17(3223)1218(26)292h691220H351011H212H3b1712
methyl(2Z)(9(13dithiolan2ylidene)5(4methoxyphenyl)3oxo6789tetrahydro5H(13)thiazolo(23b)quinazolin2(3H)ylidene)ethanoate
methyl(2Z)2(9(13dithiolan2ylidene)5(4methoxyphenyl)3oxo5678tetrahydro(13)thiazolo(23b)quinazolin2ylidene)acetate
MFCD18184789
ZINC000051329747
ZINC000051329749
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