Vitas-M small molecule compound

ethyl 2-{[3-(cyclohexylmethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanoate

Catalog ID
STK858258
SMILES CCOC(=O)C(Sc1nc2ccccc2c(=O)n1CC1CCCCC1)C

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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 C20H26N2O3S MW 374.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N2O3S/c1-3-25-19(24)14(2)26-20-21-17-12-8-7-11-16(17)18(23)22(20)13-15-9-5-4-6-10-15/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3
InChIKey
WWBDIKSEAQJQEN-UHFFFAOYSA-N
Synonyms
708990-02-7
2((3(CYCLOHEXYLMETHYL)4KETOQUINAZOLIN2YL)THIO)PROPIONICACIDETHYLESTER
2((3(CYCLOHEXYLMETHYL)4OXO2QUINAZOLINYL)THIO)PROPANOICACIDETHYLESTER
708990027
CCOC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3CCCCC3
ETHYL2((3(CYCLOHEXYLMETHYL)4OXO34DIHYDRO2QUINAZOLINYL)THIO)PROPANOATE
ethyl2((3(cyclohexylmethyl)4oxo34dihydroquinazolin2yl)sulfanyl)propanoate
ethyl2((3(cyclohexylmethyl)4oxo34dihydroquinazolin2yl)thio)propanoate
ETHYL2(3(CYCLOHEXYLMETHYL)4OXIDANYLIDENEQUINAZOLIN2YL)SULFANYLPROPANOATE
ETHYL2(3(CYCLOHEXYLMETHYL)4OXOQUINAZOLIN2YL)SULFANYLPROPANOATE
InChI=1SC20H26N2O3Sc132519(24)14(2)2620211712871116(17)18(23)22(20)131595461015h7811121415H3691013H212H3
MFCD04014249
ZINC000002861434
ZINC000002861435

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Available files

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