Vitas-M small molecule compound
methyl 2-({[6-methyl-5,7-dioxo-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetyl}amino)benzoate
Catalog ID
STL084068
SMILES COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(C)c(=O)c2c1nc(s2)N1CCCC1
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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 C20H21N5O5S MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O5S/c1-23-17(27)15-16(22-19(31-15)24-9-5-6-10-24)25(20(23)29)11-14(26)21-13-8-4-3-7-12(13)18(28)30-2/h3-4,7-8H,5-6,9-11H2,1-2H3,(H,21,26)InChIKey
WVDCSDBELAFNSW-UHFFFAOYSA-NSynonyms
CN1C(=O)C2=C(N=C(S2)N3CCCC3)N(C1=O)CC(=O)NC4=CC=CC=C4C(=O)OC
InChI=1SC20H21N5O5Sc12317(27)1516(2219(3115)249561024)25(20(23)29)1114(26)2113843712(13)18(28)302h3478H56911H212H3(H2126)
methyl2(((6methyl57dioxo2(pyrrolidin1yl)67dihydro(13)thiazolo(45d)pyrimidin4(5H)yl)acetyl)amino)benzoate
methyl2((2(6methyl57dioxo2pyrrolidin1yl(13)thiazolo(45d)pyrimidin4yl)acetyl)amino)benzoate
MFCD18202638
ZINC000057520499
ZINC57520499
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