Vitas-M small molecule compound
methyl 4-(3-{[N'-(1,3-benzodioxol-5-yl)-N-ethylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate
Catalog ID
STK760139
SMILES CCN/C(=N\c1ccc2c(c1)OCO2)/SC1CC(=O)N(C1=O)c1ccc(cc1)C(=O)OC
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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 C22H21N3O6S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O6S/c1-3-23-22(24-14-6-9-16-17(10-14)31-12-30-16)32-18-11-19(26)25(20(18)27)15-7-4-13(5-8-15)21(28)29-2/h4-10,18H,3,11-12H2,1-2H3,(H,23,24)InChIKey
STPHZBJCPUYRKP-UHFFFAOYSA-NSynonyms
CCN=C(NC1=CC2=C(C=C1)OCO2)SC3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC
CCNC(=Nc1ccc2c(c1)OCO2)SC1CC(=O)N(C1=O)c1ccc(cc1)C(=O)OC
InChI=1SC22H21N3O6Sc132322(2414691617(1014)31123016)32181119(26)25(20(18)27)157413(5815)21(28)292h41018H31112H212H3(H2324)
METHYL4((3R)3((N(13BENZODIOXOL5YL)NETHYLCARBAMIMIDOYL)SULFANYL)25DIOXOPYRROLIDIN1YL)BENZOATE
METHYL4((3S)3((N(13BENZODIOXOL5YL)NETHYLCARBAMIMIDOYL)SULFANYL)25DIOXOPYRROLIDIN1YL)BENZOATE
methyl4(3((N(13benzodioxol5yl)Nethylcarbamimidoyl)sulfanyl)25dioxopyrrolidin1yl)benzoate
METHYL4(3(N(13BENZODIOXOL5YL)NETHYLCARBAMIMIDOYL)SULFANYL25DIOXOPYRROLIDIN1YL)BENZOATE
MFCD01571989
ZINC000008425084
ZINC000100077515
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.