Vitas-M small molecule compound
propan-2-yl 4-(4-tert-butylphenyl)-5-methyl-2-({[2-(3-propoxyphenyl)quinolin-4-yl]carbonyl}amino)thiophene-3-carboxylate
Catalog ID
STK422327
SMILES CCCOc1cccc(c1)c1nc2ccccc2c(c1)C(=O)Nc1sc(c(c1C(=O)OC(C)C)c1ccc(cc1)C(C)(C)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 C38H40N2O4S MW 620.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H40N2O4S/c1-8-20-43-28-13-11-12-26(21-28)32-22-30(29-14-9-10-15-31(29)39-32)35(41)40-36-34(37(42)44-23(2)3)33(24(4)45-36)25-16-18-27(19-17-25)38(5,6)7/h9-19,21-23H,8,20H2,1-7H3,(H,40,41)InChIKey
NBYQHWARTWPLNQ-UHFFFAOYSA-NSynonyms
CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=CC=C(C=C5)C(C)(C)C)C(=O)OC(C)C
InChI=1SC38H40N2O4Sc1820432813111226(2128)322230(29149101531(29)3932)35(41)403634(37(42)4423(2)3)33(24(4)4536)25161827(191725)38(56)7h9192123H820H217H3(H4041)
METHYLETHYL4(4(TERTBUTYL)PHENYL)5METHYL2((2(3PROPOXYPHENYL)(4QUINOLYL))CARBONYLAMINO)THIOPHENE3CARBOXYLATE
MFCD02175942
propan2yl4(4tertbutylphenyl)5methyl2(((2(3propoxyphenyl)quinolin4yl)carbonyl)amino)thiophene3carboxylate
propan2yl4(4tertbutylphenyl)5methyl2((2(3propoxyphenyl)quinoline4carbonyl)amino)thiophene3carboxylate
ZINC000097948962
ZINC97948962
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