Vitas-M small molecule compound
ethyl (2Z)-2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-3-oxo-7-phenyl-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL440435
SMILES CCOC(=O)C1=C(N=c2n(C1c1cccs1)c(=O)/c(=C/c1cn(c3c1cccc3)CC(=O)N1CCC(CC1)C)/s2)c1ccccc1
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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 C36H34N4O4S2 MW 650.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H34N4O4S2/c1-3-44-35(43)31-32(24-10-5-4-6-11-24)37-36-40(33(31)28-14-9-19-45-28)34(42)29(46-36)20-25-21-39(27-13-8-7-12-26(25)27)22-30(41)38-17-15-23(2)16-18-38/h4-14,19-21,23,33H,3,15-18,22H2,1-2H3/b29-20-InChIKey
FJPHOLJCIGMCGL-BRPDVVIDSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1cccs1)c(=O)c(=Cc1cn(c3c1cccc3)CC(=O)N1CCC(CC1)C)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CN(C5=CC=CC=C54)CC(=O)N6CCC(CC6)C)S2)C7=CC=CC=C7
ethyl(2Z)2((1(2(4methylpiperidin1yl)2oxoethyl)1Hindol3yl)methylidene)3oxo7phenyl5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((1(2(4METHYLPIPERIDIN1YL)2OXOETHYL)INDOL3YL)METHYLIDENE)3OXO7PHENYL5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC36H34N4O4S2c134435(43)3132(24105461124)373640(33(31)28149194528)34(42)29(4636)20252139(2713871226(25)27)2230(41)38171523(2)161838h41419212333H3151822H212H3b2920
MFCD06244583
ZINC000150347955
ZINC000150347957
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