Vitas-M small molecule compound

N-(furan-2-ylmethyl)-4-hydroxy-2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}butanamide

Catalog ID
STL079591
SMILES OCCC(C(=O)NCc1ccco1)Sc1nc2sc3c(c2c(=O)n1CC=C)CCC3

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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 C21H23N3O4S2 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S2/c1-2-9-24-20(27)17-14-6-3-7-15(14)29-19(17)23-21(24)30-16(8-10-25)18(26)22-12-13-5-4-11-28-13/h2,4-5,11,16,25H,1,3,6-10,12H2,(H,22,26)
InChIKey
VZLYKWDWDDUGPC-UHFFFAOYSA-N
Synonyms
446278-62-2
446278622
C=CCN1C(=O)C2=C(N=C1SC(CCO)C(=O)NCC3=CC=CO3)SC4=C2CCC4
InChI=1SC21H23N3O4S2c1292420(27)171463715(14)2919(17)2321(24)3016(81025)18(26)22121354112813h245111625H1361012H2(H2226)
MFCD03109927
N(furan2ylmethyl)4hydroxy2((1oxo2prop2enyl78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin3yl)sulfanyl)butanamide
N(furan2ylmethyl)4hydroxy2((4oxo3(prop2en1yl)3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)butanamide
ZINC000001802823
ZINC000001802824

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Available files

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