Vitas-M small molecule compound
1-methoxypropan-2-yl 2-amino-1-(4-chloro-3-nitrophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Catalog ID
STK644513
SMILES COCC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)[N+](=O)[O-])Cl)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 C21H18ClN5O5 MW 455.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN5O5/c1-11(10-31-2)32-21(28)17-18-20(25-15-6-4-3-5-14(15)24-18)26(19(17)23)12-7-8-13(22)16(9-12)27(29)30/h3-9,11H,10,23H2,1-2H3InChIKey
CASCTVLLLTYSNC-UHFFFAOYSA-NSynonyms
799780-84-01methoxypropan2yl2amino1(4chloro3nitrophenyl)1Hpyrrolo(23b)quinoxaline3carboxylate
1METHOXYPROPAN2YL2AMINO1(4CHLORO3NITROPHENYL)PYRROLO(32B)QUINOXALINE3CARBOXYLATE
2METHOXY1METHYLETHYL2AMINO1(4CHLORO3NITROPHENYL)1HPYRROLO(23B)QUINOXALINE3CARBOXYLATE
799780840
CC(COC)OC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))N
COCC(OC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)(N+)(=O)(O))Cl)C
InChI=1SC21H18ClN5O5c111(10312)3221(28)171820(2515643514(15)2418)26(19(17)23)127813(22)16(912)27(29)30h3911H1023H212H3
MFCD03674035
ZINC000002211739
ZINC000002211741
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