Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK069961
SMILES Cc1ccc2c(c1)c(=O)c(co2)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1
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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 C30H29NO6S MW 531.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29NO6S/c1-16-7-8-24-20(11-16)29(33)21(15-36-24)27-26(30(34)37-14-19-5-3-9-35-19)17(2)31-22-12-18(13-23(32)28(22)27)25-6-4-10-38-25/h4,6-8,10-11,15,18-19,27,31H,3,5,9,12-14H2,1-2H3InChIKey
SMMNKVVVHMAHFE-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)OC=C(C2=O)C3C4=C(CC(CC4=O)C5=CC=CS5)NC(=C3C(=O)OCC6CCCO6)C
Cc1ccc2c(c1)c(=O)c(co2)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1
InChI=1SC30H29NO6Sc116782420(1116)29(33)21(153624)2726(30(34)3714195393519)17(2)31221218(1323(32)28(22)27)2564103825h46810111518192731H3591214H212H3
MFCD02868481
oxolan2ylmethyl2methyl4(6methyl4oxochromen3yl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
STK069961
tetrahydrofuran2ylmethyl2methyl4(6methyl4oxo4Hchromen3yl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000097939642
ZINC000097939645
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