Vitas-M small molecule compound
ethyl 6-amino-5-cyano-2-({[3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}methyl)-4-(2-iodophenyl)-4H-pyran-3-carboxylate
Catalog ID
STK669694
SMILES CCOC(=O)C1=C(CSc2nc3CCCCc3c(c2C#N)c2cccs2)OC(=C(C1c1ccccc1I)C#N)N
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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 C30H25IN4O3S2 MW 680.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25IN4O3S2/c1-2-37-30(36)27-23(38-28(34)19(14-32)26(27)17-8-3-5-10-21(17)31)16-40-29-20(15-33)25(24-12-7-13-39-24)18-9-4-6-11-22(18)35-29/h3,5,7-8,10,12-13,26H,2,4,6,9,11,16,34H2,1H3InChIKey
KYRDAZIQVHNCRP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2I)C#N)N)CSC3=NC4=C(CCCC4)C(=C3C#N)C5=CC=CS5
ethyl6amino5cyano2(((3cyano4(thiophen2yl)5678tetrahydroquinolin2yl)sulfanyl)methyl)4(2iodophenyl)4Hpyran3carboxylate
ethyl6amino5cyano2((3cyano4thiophen2yl5678tetrahydroquinolin2yl)sulfanylmethyl)4(2iodophenyl)4Hpyran3carboxylate
InChI=1SC30H25IN4O3S2c123730(36)2723(3828(34)19(1432)26(27)178351021(17)31)16402920(1533)25(24127133924)189461122(18)3529h357810121326H2469111634H21H3
MFCD00744590
ZINC000008406251
ZINC000008406256
ZINC08406256
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