Vitas-M small molecule compound

methyl (2E)-2-{[(2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindol-3-yl)carbonyl]imino}-5-methyl-2,3-dihydro-1,3-thiazole-4-carboxylate

Catalog ID
STL424892
SMILES COC(=O)c1[nH]/c(=N\C(=O)C2N3C(SC2(C)C)c2c(C3=O)cccc2)/sc1C

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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 C19H19N3O4S2 MW 417.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O4S2/c1-9-12(17(25)26-4)20-18(27-9)21-14(23)13-19(2,3)28-16-11-8-6-5-7-10(11)15(24)22(13)16/h5-8,13,16H,1-4H3,(H,20,21,23)
InChIKey
XFNCUVDWKXRAHR-UHFFFAOYSA-N
Synonyms
1676025-76-5
1676025765
CC1=C(N=C(S1)NC(=O)C2C(SC3N2C(=O)C4=CC=CC=C34)(C)C)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)C2N3C(SC2(C)C)c2c(C3=O)cccc2)sc1C
InChI=1SC19H19N3O4S2c1912(17(25)264)2018(279)2114(23)1319(23)281611865710(11)15(24)22(13)16h581316H14H3(H202123)
methyl(2E)2(((22dimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindol3yl)carbonyl)imino)5methyl23dihydro13thiazole4carboxylate
methyl2((22dimethyl5oxo39bdihydro(13)thiazolo(23a)isoindole3carbonyl)amino)5methyl13thiazole4carboxylate
MFCD30709635
ZINC000218448658
ZINC000218448890

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Available files

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