Vitas-M small molecule compound
ethyl 2-({[2-amino-1-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL409857
SMILES CCOC(=O)c1c(NC(=O)c2c(N)n(c3c2nc2ccccc2n3)c2ccc(cc2)OCC)sc2c1CCC(C2)c1ccccc1
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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 C36H33N5O4S MW 631.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H33N5O4S/c1-3-44-24-17-15-23(16-18-24)41-32(37)30(31-33(41)39-27-13-9-8-12-26(27)38-31)34(42)40-35-29(36(43)45-4-2)25-19-14-22(20-28(25)46-35)21-10-6-5-7-11-21/h5-13,15-18,22H,3-4,14,19-20,37H2,1-2H3,(H,40,42)InChIKey
OGFUHMDIPCUZRJ-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC5=C(C6=C(S5)CC(CC6)C7=CC=CC=C7)C(=O)OCC)N
ethyl2(((2amino1(4ethoxyphenyl)1Hpyrrolo(23b)quinoxalin3yl)carbonyl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2amino1(4ethoxyphenyl)pyrrolo(32b)quinoxaline3carbonyl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(2amino1(4ethoxyphenyl)1Hpyrrolo(23b)quinoxaline3carboxamido)6phenyl4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC36H33N5O4Sc134424171523(161824)4132(37)30(3133(41)392713981226(27)3831)34(42)403529(36(43)4542)25191422(2028(25)4635)21106571121h513151822H3414192037H212H3(H4042)
MFCD03285059
ZINC000102621116
ZINC000102621120
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