Vitas-M small molecule compound
3-methyl-2-{[(6-nitro-1H-indol-3-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK759748
SMILES [O-][N+](=O)c1ccc2c(c1)[nH]cc2CSc1nc2sc3c(c2c(=O)n1C)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 C20H18N4O3S2 MW 426.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3S2/c1-23-19(25)17-14-4-2-3-5-16(14)29-18(17)22-20(23)28-10-11-9-21-15-8-12(24(26)27)6-7-13(11)15/h6-9,21H,2-5,10H2,1H3InChIKey
HMYLWFNRMAZPIV-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc2c(c1)(nH)cc2CSc1nc2sc3c(c2c(=O)n1C)CCCC3
3methyl2(((6nitro1Hindol3yl)methyl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3methyl2((6nitro1Hindol3yl)methylsulfanyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CN1C(=O)C2=C(N=C1SCC3=CNC4=C3C=CC(=C4)(N+)(=O)(O))SC5=C2CCCC5
InChI=1SC20H18N4O3S2c12319(25)1714423516(14)2918(17)2220(23)28101192115812(24(26)27)6713(11)15h6921H2510H21H3
MFCD01429426
ZINC000000716528
ZINC00716528
ZINC716528
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