Vitas-M small molecule compound
ethyl [(2Z)-2-({[3-(1,3-benzodioxol-5-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]carbonyl}imino)-2,3-dihydro-1,3-thiazol-4-yl]acetate
Catalog ID
STK936956
SMILES CCOC(=O)Cc1cs/c(=N\C(=O)C2c3ccccc3C(=O)N(C2c2ccc3c(c2)OCO3)C)/[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 C25H23N3O6S MW 493.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O6S/c1-3-32-20(29)11-15-12-35-25(26-15)27-23(30)21-16-6-4-5-7-17(16)24(31)28(2)22(21)14-8-9-18-19(10-14)34-13-33-18/h4-10,12,21-22H,3,11,13H2,1-2H3,(H,26,27,30)InChIKey
KFJHJPXXNCATDT-UHFFFAOYSA-NSynonyms
1219548-38-51219548385
CCOC(=O)CC1=CSC(=N1)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC5=C(C=C4)OCO5
CCOC(=O)Cc1csc(=NC(=O)C2c3ccccc3C(=O)N(C2c2ccc3c(c2)OCO3)C)(nH)1
ethyl((2Z)2(((3(13benzodioxol5yl)2methyl1oxo1234tetrahydroisoquinolin4yl)carbonyl)imino)23dihydro13thiazol4yl)acetate
ethyl2(2((3(13benzodioxol5yl)2methyl1oxo34dihydroisoquinoline4carbonyl)amino)13thiazol4yl)acetate
InChI=1SC25H23N3O6Sc133220(29)1115123525(2615)2723(30)2116645717(16)24(31)28(2)22(21)14891819(1014)34133318h410122122H31113H212H3(H262730)
MFCD18178522
ZINC000040286759
ZINC000040286762
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