Vitas-M small molecule compound
methyl (2E)-5-(2-methylpropyl)-2-({[4-(1H-pyrrol-1-yl)tetrahydro-2H-pyran-4-yl]acetyl}imino)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL422505
SMILES COC(=O)c1[nH]/c(=N\C(=O)CC2(CCOCC2)n2cccc2)/sc1CC(C)C
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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 C20H27N3O4S MW 405.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O4S/c1-14(2)12-15-17(18(25)26-3)22-19(28-15)21-16(24)13-20(6-10-27-11-7-20)23-8-4-5-9-23/h4-5,8-9,14H,6-7,10-13H2,1-3H3,(H,21,22,24)InChIKey
UNHWKIQCCMVQRH-UHFFFAOYSA-NSynonyms
1630903-15-91630903159
CC(C)CC1=C(N=C(S1)NC(=O)CC2(CCOCC2)N3C=CC=C3)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)CC2(CCOCC2)n2cccc2)sc1CC(C)C
InChI=1SC20H27N3O4Sc114(2)121517(18(25)263)2219(2815)2116(24)1320(6102711720)23845923h458914H671013H213H3(H212224)
methyl(2E)5(2methylpropyl)2(((4(1Hpyrrol1yl)tetrahydro2Hpyran4yl)acetyl)imino)23dihydro13thiazole4carboxylate
methyl5(2methylpropyl)2((2(4pyrrol1yloxan4yl)acetyl)amino)13thiazole4carboxylate
MFCD30708194
ZINC000218222123
ZINC218222123
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