Vitas-M small molecule compound
methyl (2E)-2-{[(3-methyl-2-oxoquinoxalin-1(2H)-yl)acetyl]imino}-5-(2-methylpropyl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL309057
SMILES COC(=O)c1[nH]/c(=N\C(=O)Cn2c(=O)c(C)nc3c2cccc3)/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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c1-11(2)9-15-17(19(27)28-4)23-20(29-15)22-16(25)10-24-14-8-6-5-7-13(14)21-12(3)18(24)26/h5-8,11H,9-10H2,1-4H3,(H,22,23,25)InChIKey
SVHBMHZVMJHQAD-UHFFFAOYSA-NSynonyms
1435906-46-91435906469
CC1=NC2=CC=CC=C2N(C1=O)CC(=O)NC3=NC(=C(S3)CC(C)C)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)Cn2c(=O)c(C)nc3c2cccc3)sc1CC(C)C
InChI=1SC20H22N4O4Sc111(2)91517(19(27)284)2320(2915)2216(25)102414865713(14)2112(3)18(24)26h5811H910H214H3(H222325)
methyl(2E)2(((3methyl2oxoquinoxalin1(2H)yl)acetyl)imino)5(2methylpropyl)23dihydro13thiazole4carboxylate
methyl2((2(3methyl2oxoquinoxalin1yl)acetyl)amino)5(2methylpropyl)13thiazole4carboxylate
MFCD28028716
ZINC000095472297
ZINC95472297
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