Vitas-M small molecule compound
3-[2-(1H-imidazol-4-yl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
Catalog ID
STK207141
SMILES OC(=O)c1ccc2c(c1)[nH]c(=S)n(c2=O)CCc1c[nH]cn1
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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 C14H12N4O3S MW 316.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N4O3S/c19-12-10-2-1-8(13(20)21)5-11(10)17-14(22)18(12)4-3-9-6-15-7-16-9/h1-2,5-7H,3-4H2,(H,15,16)(H,17,22)(H,20,21)InChIKey
PCGDXXUQUGOKAT-UHFFFAOYSA-NSynonyms
3(2(1Himidazol4yl)ethyl)4oxo2thioxo1234tetrahydroquinazoline7carboxylicacid
3(2(1HIMIDAZOL5YL)ETHYL)4OXO2SULFANYLIDENE1HQUINAZOLINE7CARBOXYLICACID
3(2IMIDAZOL4YLETHYL)4OXO2THIOXO13DIHYDROQUINAZOLINE7CARBOXYLICACID
C1=CC2=C(C=C1C(=O)O)NC(=S)N(C2=O)CCC3=CN=CN3
InChI=1SC14H12N4O3Sc191210218(13(20)21)511(10)1714(22)18(12)4396157169h1257H34H2(H1516)(H1722)(H2021)
MFCD06015177
OC(=O)c1ccc2c(c1)(nH)c(=S)n(c2=O)CCc1c(nH)cn1
ZINC000019874716
ZINC19874716
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