Vitas-M small molecule compound

methyl (2E)-5-benzyl-2-({[2-methyl-4-(propan-2-yl)-1,3-thiazol-5-yl]carbonyl}imino)-2,3-dihydro-1,3-thiazole-4-carboxylate

Catalog ID
STL408011
SMILES COC(=O)c1[nH]/c(=N\C(=O)c2sc(nc2C(C)C)C)/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 C20H21N3O3S2 MW 415.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3S2/c1-11(2)15-17(27-12(3)21-15)18(24)23-20-22-16(19(25)26-4)14(28-20)10-13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3,(H,22,23,24)
InChIKey
GWRRADVNUOZHRV-UHFFFAOYSA-N
Synonyms
1574346-66-9
1574346669
CC1=NC(=C(S1)C(=O)NC2=NC(=C(S2)CC3=CC=CC=C3)C(=O)OC)C(C)C
COC(=O)c1(nH)c(=NC(=O)c2sc(nc2C(C)C)C)sc1Cc1ccccc1
InChI=1SC20H21N3O3S2c111(2)1517(2712(3)2115)18(24)23202216(19(25)264)14(2820)10138657913h5911H10H214H3(H222324)
methyl(2E)5benzyl2(((2methyl4(propan2yl)13thiazol5yl)carbonyl)imino)23dihydro13thiazole4carboxylate
methyl5benzyl2((2methyl4propan2yl13thiazole5carbonyl)amino)13thiazole4carboxylate
MFCD30705005
ZINC000096232540
ZINC96232540

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Available files

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