Vitas-M small molecule compound

methyl 3-[(cyclopropylcarbonyl)amino]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate

Catalog ID
STK206871
SMILES COC(=O)c1ccc2c(c1)[nH]c(=S)n(c2=O)NC(=O)C1CC1

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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 C14H13N3O4S MW 319.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N3O4S/c1-21-13(20)8-4-5-9-10(6-8)15-14(22)17(12(9)19)16-11(18)7-2-3-7/h4-7H,2-3H2,1H3,(H,15,22)(H,16,18)
InChIKey
IXYZVDVUCXXKPV-UHFFFAOYSA-N
Synonyms
725691-97-4
COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)NC(=O)C3CC3
COC(=O)c1ccc2c(c1)(nH)c(=S)n(c2=O)NC(=O)C1CC1
InChI=1SC14H13N3O4Sc12113(20)845910(68)1514(22)17(12(9)19)1611(18)7237h47H23H21H3(H1522)(H1618)
METHYL3((CYCLOPROPYLCARBONYL)AMINO)4OXO2SULFANYL34DIHYDROQUINAZOLINE7CARBOXYLATE
methyl3((cyclopropylcarbonyl)amino)4oxo2thioxo1234tetrahydroquinazoline7carboxylate
METHYL3(CYCLOPROPANECARBONYLAMINO)4OXO2SULFANYLIDENE1HQUINAZOLINE7CARBOXYLATE
methyl3(cyclopropanecarboxamido)4oxo2thioxo1234tetrahydroquinazoline7carboxylate
METHYL3(CYCLOPROPYLCARBONYLAMINO)4OXO2THIOXO13DIHYDROQUINAZOLINE7CARBOXYLATE
MFCD06136631
ZINC100432958

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Available files

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