Vitas-M small molecule compound

methyl 4-oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylate

Catalog ID
STK075311
SMILES C=CCn1c(S)nc2c(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 C13H12N2O3S MW 276.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N2O3S/c1-3-6-15-11(16)9-5-4-8(12(17)18-2)7-10(9)14-13(15)19/h3-5,7H,1,6H2,2H3,(H,14,19)
InChIKey
UPPJGMXAJKQJNJ-UHFFFAOYSA-N
Synonyms
310448-90-9
310448909
C=CCn1c(S)nc2c(c1=O)ccc(c2)C(=O)OC
COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C
InChI=1SC13H12N2O3Sc1361511(16)9548(12(17)182)710(9)1413(15)19h357H16H22H3(H1419)
METHYL3ALLYL2MERCAPTO4OXO34DIHYDROQUINAZOLINE7CARBOXYLATE
METHYL4OXO3(PROP2EN1YL)2SULFANYL34DIHYDROQUINAZOLINE7CARBOXYLATE
METHYL4OXO3PROP2ENYL2SULFANYL3HYDROQUINAZOLINE7CARBOXYLATE
METHYL4OXO3PROP2ENYL2SULFANYLIDENE1HQUINAZOLINE7CARBOXYLATE
MFCD03194533
STK075311
ZINC000017744396
ZINC17744396

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Available files

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