Vitas-M small molecule compound
3-{2-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-4,5-dihydro-1H-imidazol-4-yl}-N-[(2Z)-3,4,5,6-tetrahydro-2H-cyclopenta[d][1,3]thiazol-2-ylidene]propanamide
Catalog ID
STL411342
SMILES COc1ccc(cc1)CCN1C(=NC(C1=O)CCC(=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 C21H24N4O4S MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O4S/c1-29-14-7-5-13(6-8-14)11-12-25-19(27)16(23-21(25)28)9-10-18(26)24-20-22-15-3-2-4-17(15)30-20/h5-8,16H,2-4,9-12H2,1H3,(H,23,28)(H,22,24,26)InChIKey
RRBXOCIPZLYEQC-UHFFFAOYSA-NSynonyms
3(2hydroxy1(2(4methoxyphenyl)ethyl)5oxo45dihydro1Himidazol4yl)N((2Z)3456tetrahydro2Hcyclopenta(d)(13)thiazol2ylidene)propanamide
COC1=CC=C(C=C1)CCN2C(=O)C(NC2=O)CCC(=O)NC3=NC4=C(S3)CCC4
COc1ccc(cc1)CCN1C(=NC(C1=O)CCC(=O)N=c1(nH)c2c(s1)CCC2)O
InChI=1SC21H24N4O4Sc129147513(6814)11122519(27)16(2321(25)28)91018(26)2420221532417(15)3020h5816H24912H21H3(H2328)(H222426)
MFCD30706667
ZINC000096231782
ZINC000206237366
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