Vitas-M small molecule compound
ethyl [(2Z)-2-({[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}imino)-2,3-dihydro-1,3-thiazol-4-yl]acetate
Catalog ID
STL044776
SMILES CCOC(=O)Cc1cs/c(=N\C(=O)CSc2nc3sc4c(c3c(=O)n2c2ccccc2)CCCC4)/[nH]1
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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 C25H24N4O4S3 MW 540.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4S3/c1-2-33-20(31)12-15-13-34-24(26-15)27-19(30)14-35-25-28-22-21(17-10-6-7-11-18(17)36-22)23(32)29(25)16-8-4-3-5-9-16/h3-5,8-9,13H,2,6-7,10-12,14H2,1H3,(H,26,27,30)InChIKey
JHHRKHJMZHGJNM-UHFFFAOYSA-NSynonyms
489413-68-5489413685
CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5
CCOC(=O)Cc1csc(=NC(=O)CSc2nc3sc4c(c3c(=O)n2c2ccccc2)CCCC4)(nH)1
ethyl((2Z)2((((4oxo3phenyl345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)imino)23dihydro13thiazol4yl)acetate
ethyl2(2((2((4oxo3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)13thiazol4yl)acetate
InChI=1SC25H24N4O4S3c123320(31)1215133424(2615)2719(30)143525282221(1710671118(17)3622)23(32)29(25)168435916h358913H267101214H21H3(H262730)
MFCD03802831
ZINC000002252567
ZINC02252567
ZINC2252567
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