Vitas-M small molecule compound
2-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
Catalog ID
STL108245
SMILES O=C(Nc1ccc(c(c1)Cl)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 C25H20ClN3O4S MW 493.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN3O4S/c1-15-6-8-17(11-19(15)26)27-23(30)13-34-25-28-20-5-3-2-4-18(20)24(31)29(25)12-16-7-9-21-22(10-16)33-14-32-21/h2-11H,12-14H2,1H3,(H,27,30)InChIKey
IMHVGRNRKARGEI-UHFFFAOYSA-NSynonyms
2((3(13benzodioxol5ylmethyl)4oxo34dihydroquinazolin2yl)sulfanyl)N(3chloro4methylphenyl)acetamide
2(3(13BENZODIOXOL5YLMETHYL)4OXOQUINAZOLIN2YL)SULFANYLN(3CHLORO4METHYLPHENYL)ACETAMIDE
CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)Cl
InChI=1SC25H20ClN3O4Sc1156817(1119(15)26)2723(30)1334252820532418(20)24(31)29(25)1216792122(1016)33143221h211H1214H21H3(H2730)
MFCD05023666
ZINC000002970981
ZINC2970981
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