Vitas-M small molecule compound
methyl (2Z)-5-benzyl-2-{[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]imino}-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL319192
SMILES COC(=O)c1[nH]/c(=N/C(=O)CCc2c(C)n[nH]c2C)/sc1Cc1ccccc1
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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 C20H22N4O3S MW 398.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3S/c1-12-15(13(2)24-23-12)9-10-17(25)21-20-22-18(19(26)27-3)16(28-20)11-14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,23,24)(H,21,22,25)InChIKey
WTZHJLKVZXUKES-UHFFFAOYSA-NSynonyms
1435904-12-31435904123
CC1=C(C(=NN1)C)CCC(=O)NC2=NC(=C(S2)CC3=CC=CC=C3)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)CCc2c(C)n(nH)c2C)sc1Cc1ccccc1
InChI=1SC20H22N4O3Sc11215(13(2)242312)91017(25)21202218(19(26)273)16(2820)11147546814h48H911H213H3(H2324)(H212225)
methyl(2Z)5benzyl2((3(35dimethyl1Hpyrazol4yl)propanoyl)imino)23dihydro13thiazole4carboxylate
methyl5benzyl2(3(35dimethyl1Hpyrazol4yl)propanoylamino)13thiazole4carboxylate
MFCD28031721
ZINC000095479884
ZINC95479884
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