Vitas-M small molecule compound
methyl 2-{[(2-amino-1-hexyl-1H-pyrrolo[2,3-b]quinoxalin-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK539396
SMILES CCCCCCn1c2nc3ccccc3nc2c(c1N)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
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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 C27H31N5O3S MW 505.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O3S/c1-3-4-5-10-15-32-23(28)21(22-24(32)30-18-13-8-7-12-17(18)29-22)25(33)31-26-20(27(34)35-2)16-11-6-9-14-19(16)36-26/h7-8,12-13H,3-6,9-11,14-15,28H2,1-2H3,(H,31,33)InChIKey
NCXZDKGATSKZOD-UHFFFAOYSA-NSynonyms
371232-08-5371232085
CCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC)N
InChI=1SC27H31N5O3Sc134510153223(28)21(2224(32)301813871217(18)2922)25(33)312620(27(34)352)1611691419(16)3626h781213H36911141528H212H3(H3133)
methyl2(((2amino1hexyl1Hpyrrolo(23b)quinoxalin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2amino1hexylpyrrolo(32b)quinoxaline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(2amino1hexyl1Hpyrrolo(23b)quinoxaline3carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD03006676
ZINC000002312743
ZINC02312743
ZINC2312743
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