Vitas-M small molecule compound
2-[1-(3,4-dimethoxybenzyl)-2-hydroxy-5-oxo-4,5-dihydro-1H-imidazol-4-yl]-N-[(2Z)-3,4,5,6-tetrahydro-2H-cyclopenta[d][1,3]thiazol-2-ylidene]acetamide
Catalog ID
STL411232
SMILES COc1ccc(cc1OC)CN1C(=NC(C1=O)CC(=O)/N=c\1/[nH]c2c(s1)CCC2)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/c1-28-14-7-6-11(8-15(14)29-2)10-24-18(26)13(22-20(24)27)9-17(25)23-19-21-12-4-3-5-16(12)30-19/h6-8,13H,3-5,9-10H2,1-2H3,(H,22,27)(H,21,23,25)InChIKey
KIPQEMMEZYVISJ-UHFFFAOYSA-NSynonyms
2(1(34dimethoxybenzyl)2hydroxy5oxo45dihydro1Himidazol4yl)N((2Z)3456tetrahydro2Hcyclopenta(d)(13)thiazol2ylidene)acetamide
COC1=C(C=C(C=C1)CN2C(=O)C(NC2=O)CC(=O)NC3=NC4=C(S3)CCC4)OC
COc1ccc(cc1OC)CN1C(=NC(C1=O)CC(=O)N=c1(nH)c2c(s1)CCC2)O
InChI=1SC20H22N4O5Sc128147611(815(14)292)102418(26)13(2220(24)27)917(25)2319211243516(12)3019h6813H35910H212H3(H2227)(H212325)
MFCD30706611
N(56dihydro4Hcyclopenta(d)(13)thiazol2yl)2(1((34dimethoxyphenyl)methyl)25dioxoimidazolidin4yl)acetamide
ZINC000096117654
ZINC000223240704
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