Vitas-M small molecule compound

3-butyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

Catalog ID
STL086351
SMILES CCCCn1c(=S)[nH]c2c(c1=O)cccc2

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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 C12H14N2OS MW 234.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2OS/c1-2-3-8-14-11(15)9-6-4-5-7-10(9)13-12(14)16/h4-7H,2-3,8H2,1H3,(H,13,16)
InChIKey
YIMVQTWMNLKAPM-UHFFFAOYSA-N
Synonyms
13906-07-5
13906075
3BUTYL2MERCAPTO3HQUINAZOLIN4ONE
3BUTYL2MERCAPTOQUINAZOLIN4(3H)ONE
3BUTYL2SULFANYL34DIHYDROQUINAZOLIN4ONE
3BUTYL2SULFANYLIDENE1HQUINAZOLIN4ONE
3BUTYL2THIOXO12DIHYDROQUINAZOLINE4(3H)ONE
3BUTYL2THIOXO13DIHYDROQUINAZOLIN4ONE
3BUTYL2THIOXO23DIHYDRO1HQUINAZOLIN4ONE
3BUTYL2THIOXO23DIHYDRO4(1H)QUINAZOLINONE
3butyl2thioxo23dihydroquinazolin4(1H)one
3NBUTYL2MERCAPTO4(3H)QUINAZOLINONE
4(1H)QUINAZOLINONE3BUTYL23DIHYDRO2THIOXO
CCCCN1C(=O)C2=CC=CC=C2NC1=S
CCCCn1c(=S)(nH)c2c(c1=O)cccc2
InChI=1SC12H14N2OSc12381411(15)9645710(9)1312(14)16h47H238H21H3(H1316)
MFCD00126052
ZINC000003230900
ZINC03230900
ZINC3230900

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Available files

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