Vitas-M small molecule compound
3-(furan-2-ylmethyl)-2-[(4-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL049213
SMILES [O-][N+](=O)c1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3
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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 C22H19N3O4S2 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O4S2/c26-21-19-17-5-1-2-6-18(17)31-20(19)23-22(24(21)12-16-4-3-11-29-16)30-13-14-7-9-15(10-8-14)25(27)28/h3-4,7-11H,1-2,5-6,12-13H2InChIKey
CISXZASOVNXAJR-UHFFFAOYSA-NSynonyms
678561-57-4(O)(N+)(=O)c1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3
3(furan2ylmethyl)2((4nitrobenzyl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3(furan2ylmethyl)2((4nitrobenzyl)thio)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(furan2ylmethyl)2((4nitrophenyl)methylsulfanyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
678561574
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=CO4)SCC5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC22H19N3O4S2c26211917512618(17)3120(19)2322(24(21)121643112916)3013147915(10814)25(27)28h34711H12561213H2
MFCD04016224
ZINC000009459191
ZINC09459191
ZINC9459191
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