Vitas-M small molecule compound
2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK087923
SMILES Cc1cc(ccc1c1ccc(o1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3)[N+](=O)[O-]
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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 C21H17N3O4S MW 407.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4S/c1-11-10-12(24(26)27)6-7-13(11)15-8-9-16(28-15)19-22-20(25)18-14-4-2-3-5-17(14)29-21(18)23-19/h6-10H,2-5H2,1H3,(H,22,23,25)InChIKey
JSQJUVBVELPHDB-UHFFFAOYSA-NSynonyms
2(5(2methyl4nitrophenyl)furan2yl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(5(2methyl4nitrophenyl)furan2yl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
2(5(2methyl4nitrophenyl)furan2yl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
CC1=C(C=CC(=C1)(N+)(=O)(O))C2=CC=C(O2)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3
Cc1cc(ccc1c1ccc(o1)c1nc2sc3c(c2c(=O)(nH)1)CCCC3)(N+)(=O)(O)
InChI=1SC21H17N3O4Sc1111012(24(26)27)6713(11)158916(2815)192220(25)1814423517(14)2921(18)2319h610H25H21H3(H222325)
MFCD02241552
STK087923
ZINC000018137691
ZINC18137691
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