Vitas-M small molecule compound

2-{[3-(4-methoxybenzyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide

Catalog ID
STL094726
SMILES COc1ccc(cc1)Cn1c(SCC(=O)Nc2nnc[nH]2)nc2c(c1=O)cccc2

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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 C20H18N6O3S MW 422.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6O3S/c1-29-14-8-6-13(7-9-14)10-26-18(28)15-4-2-3-5-16(15)23-20(26)30-11-17(27)24-19-21-12-22-25-19/h2-9,12H,10-11H2,1H3,(H2,21,22,24,25,27)
InChIKey
BMBKQZWMMIDDSI-UHFFFAOYSA-N
Synonyms
1116071-35-2
1116071352
2((3(4methoxybenzyl)4oxo34dihydroquinazolin2yl)sulfanyl)N(4H124triazol3yl)acetamide
2((3(4METHOXYBENZYL)4OXO34DIHYDROQUINAZOLIN2YL)THIO)N(4H124TRIAZOL3YL)ACETAMIDE
2(3((4methoxyphenyl)methyl)4oxoquinazolin2yl)sulfanylN(1H124triazol5yl)acetamide
COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NC=NN4
COc1ccc(cc1)Cn1c(SCC(=O)Nc2nnc(nH)2)nc2c(c1=O)cccc2
InChI=1SC20H18N6O3Sc129148613(7914)102618(28)15423516(15)2320(26)301117(27)24192112222519h2912H1011H21H3(H22122242527)
MFCD15141351
ZINC000033175322
ZINC33175322

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Available files

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