Vitas-M small molecule compound
5-(3-nitrophenyl)-3-phenyl-2-thioxo-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
Catalog ID
STK698262
SMILES O=C1NC(Nc2c1sc(=S)n2c1ccccc1)c1cccc(c1)[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 C17H12N4O3S2 MW 384.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N4O3S2/c22-16-13-15(20(17(25)26-13)11-6-2-1-3-7-11)18-14(19-16)10-5-4-8-12(9-10)21(23)24/h1-9,14,18H,(H,19,22)InChIKey
QDVLEZKBWCTXOP-UHFFFAOYSA-NSynonyms
5(3NITROPHENYL)3PHENYL2SULFANYLIDENE56DIHYDRO4H(13)THIAZOLO(45D)PYRIMIDIN7ONE
5(3nitrophenyl)3phenyl2thioxo2356tetrahydro(13)thiazolo(45d)pyrimidin7(4H)one
5(3nitrophenyl)3phenyl2thioxo2356tetrahydrothiazolo(45d)pyrimidin7(4H)one
C1=CC=C(C=C1)N2C3=C(C(=O)NC(N3)C4=CC(=CC=C4)(N+)(=O)(O))SC2=S
InChI=1SC17H12N4O3S2c22161315(20(17(25)2613)116213711)1814(1916)1054812(910)21(23)24h191418H(H1922)
MFCD01199888
O=C1NC(Nc2c1sc(=S)n2c1ccccc1)c1cccc(c1)(N+)(=O)(O)
ZINC000008739012
ZINC000008741136
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