Vitas-M small molecule compound

2-{[bis(2-hydroxyethyl)carbamoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Catalog ID
STK604005
SMILES OCCN(C(=O)Nc1sc2c(c1C(=O)O)CCCC2)CCO

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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 C14H20N2O5S MW 328.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20N2O5S/c17-7-5-16(6-8-18)14(21)15-12-11(13(19)20)9-3-1-2-4-10(9)22-12/h17-18H,1-8H2,(H,15,21)(H,19,20)
InChIKey
LYEBIDPUTCTOFP-UHFFFAOYSA-N
Synonyms
903855-29-8
2((bis(2hydroxyethyl)carbamoyl)amino)4567tetrahydro1benzothiophene3carboxylicacid
2(33bis(2hydroxyethyl)ureido)4567tetrahydrobenzo(b)thiophene3carboxylicacid
2(bis(2hydroxyethyl)carbamoylamino)4567tetrahydro1benzothiophene3carboxylicacid
903855298
C1CCC2=C(C1)C(=C(S2)NC(=O)N(CCO)CCO)C(=O)O
InChI=1SC14H20N2O5Sc177516(6818)14(21)151211(13(19)20)9312410(9)2212h1718H18H2(H1521)(H1920)
MFCD08288636
ZINC000006755846
ZINC6755846

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.