Vitas-M small molecule compound
propan-2-yl 4-(4-tert-butylphenyl)-5-methyl-2-[({2-[2-(propan-2-yloxy)phenyl]quinolin-4-yl}carbonyl)amino]thiophene-3-carboxylate
Catalog ID
STK422539
SMILES CC(OC(=O)c1c(NC(=O)c2cc(nc3c2cccc3)c2ccccc2OC(C)C)sc(c1c1ccc(cc1)C(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/c1-22(2)43-32-16-12-10-14-28(32)31-21-29(27-13-9-11-15-30(27)39-31)35(41)40-36-34(37(42)44-23(3)4)33(24(5)45-36)25-17-19-26(20-18-25)38(6,7)8/h9-23H,1-8H3,(H,40,41)InChIKey
YCMCEYFWWJRYAD-UHFFFAOYSA-NSynonyms
CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4OC(C)C)C(=O)OC(C)C)C5=CC=C(C=C5)C(C)(C)C
InChI=1SC38H40N2O4Sc122(2)43321612101428(32)312129(27139111530(27)3931)35(41)403634(37(42)4423(3)4)33(24(5)4536)25171926(201825)38(67)8h923H18H3(H4041)
METHYLETHYL4(4(TERTBUTYL)PHENYL)5METHYL2((2(2(METHYLETHOXY)PHENYL)(4QUINOLYL))CARBONYLAMINO)THIOPHENE3CARBOXYLATE
MFCD02176878
propan2yl4(4tertbutylphenyl)5methyl2(((2(2(propan2yloxy)phenyl)quinolin4yl)carbonyl)amino)thiophene3carboxylate
propan2yl4(4tertbutylphenyl)5methyl2((2(2propan2yloxyphenyl)quinoline4carbonyl)amino)thiophene3carboxylate
ZINC000097948961
ZINC97948961
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