Vitas-M small molecule compound
2-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-benzylacetamide
Catalog ID
STL108231
SMILES O=C(NCc1ccccc1)CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2
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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 C25H21N3O4S MW 459.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O4S/c29-23(26-13-17-6-2-1-3-7-17)15-33-25-27-20-9-5-4-8-19(20)24(30)28(25)14-18-10-11-21-22(12-18)32-16-31-21/h1-12H,13-16H2,(H,26,29)InChIKey
ADZALMNMUSHFGN-UHFFFAOYSA-NSynonyms
2((3(13benzodioxol5ylmethyl)4oxo34dihydroquinazolin2yl)sulfanyl)Nbenzylacetamide
2(3(13BENZODIOXOL5YLMETHYL)4OXOQUINAZOLIN2YL)SULFANYLNBENZYLACETAMIDE
C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC(=O)NCC5=CC=CC=C5
InChI=1SC25H21N3O4Sc2923(2613176213717)1533252720954819(20)24(30)28(25)141810112122(1218)32163121h112H1316H2(H2629)
MFCD02651070
ZINC000002970041
ZINC2970041
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