Vitas-M small molecule compound

{1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl}acetic acid

Catalog ID
STK615285
SMILES O=C(Cn1c(=O)n(CC(=O)O)c(=O)c2c1sc1c2CCCC1)NCc1ccccc1

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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 C21H21N3O5S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5S/c25-16(22-10-13-6-2-1-3-7-13)11-24-20-18(14-8-4-5-9-15(14)30-20)19(28)23(21(24)29)12-17(26)27/h1-3,6-7H,4-5,8-12H2,(H,22,25)(H,26,27)
InChIKey
XDLXPSVCMBLGDR-UHFFFAOYSA-N
Synonyms
903195-90-4
(1(2(benzylamino)2oxoethyl)24dioxo145678hexahydro(1)benzothieno(23d)pyrimidin3(2H)yl)aceticacid
2(1(2(benzylamino)2oxoethyl)24dioxo125678hexahydrobenzo(45)thieno(23d)pyrimidin3(4H)yl)aceticacid
2(1(2(benzylamino)2oxoethyl)24dioxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)aceticacid
903195904
C1CCC2=C(C1)C3=C(S2)N(C(=O)N(C3=O)CC(=O)O)CC(=O)NCC4=CC=CC=C4
InChI=1SC21H21N3O5Sc2516(2210136213713)11242018(14845915(14)3020)19(28)23(21(24)29)1217(26)27h1367H45812H2(H2225)(H2627)
MFCD08290870
ZINC000009410697
ZINC9410697

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Available files

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