Vitas-M small molecule compound
ethyl (2Z)-2-(4-iodobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL296359
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1ccc(cc1)I)/s2
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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 C21H17IN2O3S2 MW 536.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17IN2O3S2/c1-3-27-20(26)17-12(2)23-21-24(18(17)15-5-4-10-28-15)19(25)16(29-21)11-13-6-8-14(22)9-7-13/h4-11,18H,3H2,1-2H3/b16-11-InChIKey
YYVZIOHLANMVOI-WJDWOHSUSA-NSynonyms
(E)ethyl2(4iodobenzylidene)7methyl3oxo5(thiophen2yl)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(cc1)I)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC=C(C=C4)I)S2)C
ETHYL(2Z)2((4IODOPHENYL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(4iodobenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC21H17IN2O3S2c132720(26)1712(2)232124(18(17)1554102815)19(25)16(2921)11136814(22)9713h41118H3H212H3b1611
MFCD02109412
ZINC000002228488
ZINC000002228492
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