Vitas-M small molecule compound
2-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Catalog ID
STL108263
SMILES O=C(Nc1cccc(c1)C)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/c1-16-5-4-6-18(11-16)26-23(29)14-33-25-27-20-8-3-2-7-19(20)24(30)28(25)13-17-9-10-21-22(12-17)32-15-31-21/h2-12H,13-15H2,1H3,(H,26,29)InChIKey
SMRDLKGJYIQVID-UHFFFAOYSA-NSynonyms
2((3(13benzodioxol5ylmethyl)4oxo34dihydroquinazolin2yl)sulfanyl)N(3methylphenyl)acetamide
2(3(13benzodioxol5ylmethyl)4oxoquinazolin2yl)sulfanylN(3methylphenyl)acetamide
CC1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5
InChI=1SC25H21N3O4Sc11654618(1116)2623(29)1433252720832719(20)24(30)28(25)13179102122(1217)32153121h212H1315H21H3(H2629)
MFCD20742764
ZINC000067291058
ZINC67291058
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