Vitas-M small molecule compound
2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
Catalog ID
STL094718
SMILES COc1cc(ccc1OC)n1c(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 C20H18N6O4S MW 438.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6O4S/c1-29-15-8-7-12(9-16(15)30-2)26-18(28)13-5-3-4-6-14(13)23-20(26)31-10-17(27)24-19-21-11-22-25-19/h3-9,11H,10H2,1-2H3,(H2,21,22,24,25,27)InChIKey
TXMVBKCGSUNURS-UHFFFAOYSA-NSynonyms
1116071-36-31116071363
2((3(34dimethoxyphenyl)4oxo34dihydroquinazolin2yl)sulfanyl)N(4H124triazol3yl)acetamide
2((3(34DIMETHOXYPHENYL)4OXO34DIHYDROQUINAZOLIN2YL)THIO)N(4H124TRIAZOL3YL)ACETAMIDE
2(3(34dimethoxyphenyl)4oxoquinazolin2yl)sulfanylN(1H124triazol5yl)acetamide
COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NC=NN4)OC
COc1cc(ccc1OC)n1c(SCC(=O)Nc2nnc(nH)2)nc2c(c1=O)cccc2
InChI=1SC20H18N6O4Sc129158712(916(15)302)2618(28)13534614(13)2320(26)311017(27)24192111222519h3911H10H212H3(H22122242527)
MFCD15141354
ZINC000033175329
ZINC33175329
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