Vitas-M small molecule compound
ethyl 2-amino-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK756178
SMILES CCOC(=O)C1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)(C)C
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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 C27H29N3O5S MW 507.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O5S/c1-5-35-26(32)24-22(16-9-11-19(36-4)12-10-16)23-20(14-27(2,3)15-21(23)31)29(25(24)28)17-7-6-8-18(13-17)30(33)34/h6-13,22H,5,14-15,28H2,1-4H3InChIKey
UXLSLYMLEORURQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(C=C3)SC)C(=O)CC(C2)(C)C)C4=CC(=CC=C4)(N+)(=O)(O))N
CCOC(=O)C1=C(N)N(c2cccc(c2)(N+)(=O)(O))C2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)(C)C
ethyl2amino77dimethyl4(4(methylsulfanyl)phenyl)1(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
ETHYL2AMINO77DIMETHYL4(4METHYLSULFANYLPHENYL)1(3NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBOXYLATE
InChI=1SC27H29N3O5Sc153526(32)2422(1691119(364)121016)2320(1427(23)1521(23)31)29(25(24)28)1776818(1317)30(33)34h61322H5141528H214H3
MFCD01239499
ZINC000002573680
ZINC000012412418
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