Vitas-M small molecule compound
2-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
Catalog ID
STL108292
SMILES O=C(Nc1cccc(c1C)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 C26H23N3O4S MW 473.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O4S/c1-16-6-5-9-20(17(16)2)27-24(30)14-34-26-28-21-8-4-3-7-19(21)25(31)29(26)13-18-10-11-22-23(12-18)33-15-32-22/h3-12H,13-15H2,1-2H3,(H,27,30)InChIKey
OQQFIQWEFDXJCI-UHFFFAOYSA-NSynonyms
2((3(13benzodioxol5ylmethyl)4oxo34dihydroquinazolin2yl)sulfanyl)N(23dimethylphenyl)acetamide
2(3(13benzodioxol5ylmethyl)4oxoquinazolin2yl)sulfanylN(23dimethylphenyl)acetamide
CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)C
InChI=1SC26H23N3O4Sc11665920(17(16)2)2724(30)1434262821843719(21)25(31)29(26)131810112223(1218)33153222h312H1315H212H3(H2730)
MFCD20742793
ZINC000067291169
ZINC67291169
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