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5-(3-acetyl-6-tert-butyl-3a,4,5,6,7,7a-hexahydro-1-benzothiophen-2-yl)-3-(2,4-dichlorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

Catalog ID
STL050363
SMILES Clc1ccc(c(c1)Cl)C1N(OC2C1C(=O)N(C2=O)C1=C(C(=O)C)C2C(S1)CC(CC2)C(C)(C)C)c1cccc(c1)[N+](=O)[O-]

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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 C31H31Cl2N3O6S MW 644.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31Cl2N3O6S/c1-15(37)24-21-10-8-16(31(2,3)4)12-23(21)43-30(24)34-28(38)25-26(20-11-9-17(32)13-22(20)33)35(42-27(25)29(34)39)18-6-5-7-19(14-18)36(40)41/h5-7,9,11,13-14,16,21,23,25-27H,8,10,12H2,1-4H3
InChIKey
WBJBIUBQWVNGAH-UHFFFAOYSA-N
Synonyms

5(3acetyl6(tertbutyl)3a45677ahexahydrobenzo(b)thiophen2yl)3(24dichlorophenyl)2(3nitrophenyl)dihydro2Hpyrrolo(34d)isoxazole46(5H6aH)dione
5(3acetyl6tertbutyl3a45677ahexahydro1benzothiophen2yl)3(24dichlorophenyl)2(3nitrophenyl)3a6adihydro3Hpyrrolo(34d)(12)oxazole46dione
5(3acetyl6tertbutyl3a45677ahexahydro1benzothiophen2yl)3(24dichlorophenyl)2(3nitrophenyl)dihydro2Hpyrrolo(34d)(12)oxazole46(3H5H)dione
CC(=O)C1=C(SC2C1CCC(C2)C(C)(C)C)N3C(=O)C4C(N(OC4C3=O)C5=CC(=CC=C5)(N+)(=O)(O))C6=C(C=C(C=C6)Cl)Cl
Clc1ccc(c(c1)Cl)C1N(OC2C1C(=O)N(C2=O)C1=C(C(=O)C)C2C(S1)CC(CC2)C(C)(C)C)c1cccc(c1)(N+)(=O)(O)
InChI=1SC31H31Cl2N3O6Sc115(37)242110816(31(23)4)1223(21)4330(24)3428(38)2526(2011917(32)1322(20)33)35(4227(25)29(34)39)1865719(1418)36(40)41h5791113141621232527H81012H214H3
MFCD05726254
ZINC000229896776
ZINC000245247561

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Available files

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