Vitas-M small molecule compound
methyl 3-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-5-oxo-1-thioxo-4,5-dihydro[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Catalog ID
STL133898
SMILES COC(=O)c1ccc2c(c1)n1c(=S)sc(c1[nH]c2=O)C(=O)NCc1ccc2c(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 C21H15N3O6S2 MW 469.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O6S2/c1-28-20(27)11-3-4-12-13(7-11)24-17(23-18(12)25)16(32-21(24)31)19(26)22-8-10-2-5-14-15(6-10)30-9-29-14/h2-7H,8-9H2,1H3,(H,22,26)(H,23,25)InChIKey
BUZBPFGEORBNBD-UHFFFAOYSA-NSynonyms
443108-50-7443108507
COC(=O)C1=CC2=C(C=C1)C(=O)NC3=C(SC(=S)N23)C(=O)NCC4=CC5=C(C=C4)OCO5
COC(=O)c1ccc2c(c1)n1c(=S)sc(c1(nH)c2=O)C(=O)NCc1ccc2c(c1)OCO2
InChI=1SC21H15N3O6S2c12820(27)11341213(711)2417(2318(12)25)16(3221(24)31)19(26)22810251415(610)3092914h27H89H21H3(H2226)(H2325)
methyl3((13benzodioxol5ylmethyl)carbamoyl)5oxo1thioxo45dihydro(13)thiazolo(34a)quinazoline8carboxylate
METHYL3((BENZO(D)(13)DIOXOL5YLMETHYL)CARBAMOYL)5OXO1THIOXO45DIHYDRO1HTHIAZOLO(34A)QUINAZOLINE8CARBOXYLATE
METHYL3(13BENZODIOXOL5YLMETHYLCARBAMOYL)5OXO1SULFANYLIDENE4H(13)THIAZOLO(34A)QUINAZOLINE8CARBOXYLATE
MFCD15083211
ZINC000002956455
ZINC2956455
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