Vitas-M small molecule compound
2-[1-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-5-oxo-4,5-dihydro-1H-imidazol-4-yl]-N-[(2E)-4-tert-butyl-1,3-thiazol-2(3H)-ylidene]acetamide
Catalog ID
STL409685
SMILES O=C(/N=c\1/scc([nH]1)C(C)(C)C)CC1N=C(N(C1=O)Cc1ccc2c(c1)OCO2)O
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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 C20H22N4O5S MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O5S/c1-20(2,3)15-9-30-18(22-15)23-16(25)7-12-17(26)24(19(27)21-12)8-11-4-5-13-14(6-11)29-10-28-13/h4-6,9,12H,7-8,10H2,1-3H3,(H,21,27)(H,22,23,25)InChIKey
OZWUQPHJMCQFTM-UHFFFAOYSA-NSynonyms
2(1(13benzodioxol5ylmethyl)2hydroxy5oxo45dihydro1Himidazol4yl)N((2E)4tertbutyl13thiazol2(3H)ylidene)acetamide
CC(C)(C)C1=CSC(=N1)NC(=O)CC2C(=O)N(C(=O)N2)CC3=CC4=C(C=C3)OCO4
InChI=1SC20H22N4O5Sc120(23)1593018(2215)2316(25)71217(26)24(19(27)2112)811451314(611)29102813h46912H7810H213H3(H2127)(H222325)
MFCD30705834
O=C(N=c1scc((nH)1)C(C)(C)C)CC1N=C(N(C1=O)Cc1ccc2c(c1)OCO2)O
ZINC000096232623
ZINC000206252817
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