Vitas-M small molecule compound
benzyl (3-oxo-1-{[(3,4,5-trimethoxyphenyl)carbonyl]carbamothioyl}piperazin-2-yl)acetate
Catalog ID
STL064264
SMILES COc1c(OC)cc(cc1OC)C(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCc1ccccc1
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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 C24H27N3O7S MW 501.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O7S/c1-31-18-11-16(12-19(32-2)21(18)33-3)22(29)26-24(35)27-10-9-25-23(30)17(27)13-20(28)34-14-15-7-5-4-6-8-15/h4-8,11-12,17H,9-10,13-14H2,1-3H3,(H,25,30)(H,26,29,35)InChIKey
FLOAHUVLQGNUGR-UHFFFAOYSA-NSynonyms
benzyl(3oxo1(((345trimethoxyphenyl)carbonyl)carbamothioyl)piperazin2yl)acetate
BENZYL2(3OXO1((345TRIMETHOXYBENZOYL)CARBAMOTHIOYL)PIPERAZIN2YL)ACETATE
COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3
InChI=1SC24H27N3O7Sc131181116(1219(322)21(18)333)22(29)2624(35)271092523(30)17(27)1320(28)3414157546815h48111217H9101314H213H3(H2530)(H262935)
MFCD05127942
ZINC000009974822
ZINC000009974823
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