Vitas-M small molecule compound
N-benzyl-4-(2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide
Catalog ID
STL062612
SMILES COc1cc(/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)ccc1OC
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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 C23H26N4O5S MW 470.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O5S/c1-31-18-10-8-16(14-19(18)32-2)9-11-21(29)25-23(33)27-26-22(30)13-12-20(28)24-15-17-6-4-3-5-7-17/h3-11,14H,12-13,15H2,1-2H3,(H,24,28)(H,26,30)(H2,25,27,29,33)/b11-9+InChIKey
PVKUGUWTLJENHR-PKNBQFBNSA-NSynonyms
COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2)OC
COc1cc(C=CC(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)ccc1OC
InChI=1SC23H26N4O5Sc1311810816(1419(18)322)91121(29)2523(33)272622(30)131220(28)2415176435717h31114H121315H212H3(H2428)(H2630)(H225272933)b119+
MFCD03596722
Nbenzyl4(2(((2E)3(34dimethoxyphenyl)prop2enoyl)carbamothioyl)hydrazinyl)4oxobutanamide
NBENZYL4(2(((E)3(34DIMETHOXYPHENYL)PROP2ENOYL)CARBAMOTHIOYL)HYDRAZINYL)4OXOBUTANAMIDE
ZINC000012289576
ZINC12289576
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