Vitas-M small molecule compound

methyl 3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate

Catalog ID
STK206861
SMILES CCOCCCn1c(=S)[nH]c2c(c1=O)ccc(c2)C(=O)OC

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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 C15H18N2O4S MW 322.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N2O4S/c1-3-21-8-4-7-17-13(18)11-6-5-10(14(19)20-2)9-12(11)16-15(17)22/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,22)
InChIKey
ZHTUYMHANMVVMO-UHFFFAOYSA-N
Synonyms

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S
CCOCCCn1c(=S)(nH)c2c(c1=O)ccc(c2)C(=O)OC
InChI=1SC15H18N2O4Sc13218471713(18)116510(14(19)202)912(11)1615(17)22h569H3478H212H3(H1622)
METHYL3(3ETHOXYPROPYL)4OXO2SULFANYLIDENE1HQUINAZOLINE7CARBOXYLATE
methyl3(3ethoxypropyl)4oxo2thioxo1234tetrahydroquinazoline7carboxylate
METHYL3(3ETHOXYPROPYL)4OXO2THIOXO13DIHYDROQUINAZOLINE7CARBOXYLATE
MFCD06136611
ZINC000002438769
ZINC02438769
ZINC2438769

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Available files

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