Vitas-M small molecule compound

2-methyl-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STK280080
SMILES O=C1C=C/C(=N/n2c(C)nc3c(c2=O)c(cs3)c2ccccc2)/C=C1

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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 C19H13N3O2S MW 347.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N3O2S/c1-12-20-18-17(16(11-25-18)13-5-3-2-4-6-13)19(24)22(12)21-14-7-9-15(23)10-8-14/h2-11H,1H3
InChIKey
GVMBIQWEOBIDNP-UHFFFAOYSA-N
Synonyms
80381-74-4
2methyl3((4oxocyclohexa25dien1ylidene)amino)5phenylthieno(23d)pyrimidin4(3H)one
2METHYL3((4OXOCYCLOHEXA25DIEN1YLIDENE)AMINO)5PHENYLTHIENO(23D)PYRIMIDIN4ONE
80381744
ACETICACID2METHYL3((4OXO1CYCLOHEXA25DIENYLIDENE)AMINO)5PHENYL4THIENO(23D)PYRIMIDINONE
ACETICACID2METHYL3((4OXOCYCLOHEXA25DIEN1YLIDENE)AMINO)5PHENYLTHIENO(23D)PYRIMIDIN4ONE
ACETICACID3((4KETOCYCLOHEXA25DIEN1YLIDENE)AMINO)2METHYL5PHENYLTHIENO(23D)PYRIMIDIN4ONE
CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1N=C4C=CC(=O)C=C4
ETHANOICACID2METHYL3((4OXIDANYLIDENECYCLOHEXA25DIEN1YLIDENE)AMINO)5PHENYLTHIENO(23D)PYRIMIDIN4ONE
InChI=1SC19H13N3O2Sc112201817(16(112518)135324613)19(24)22(12)21147915(23)10814h211H1H3
MFCD00292895
O=C1C=CC(=Nn2c(C)nc3c(c2=O)c(cs3)c2ccccc2)C=C1
ZINC000004866117
ZINC04866117
ZINC4866117

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.