Vitas-M small molecule compound
(3aR,4S,9aR,9bS)-4-[(4-chlorophenyl)carbonyl]-2-(2-methyl-5-nitrophenyl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione
Catalog ID
STK548720
SMILES Clc1ccc(cc1)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-])C(=O)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 C31H22ClN3O6 MW 567.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22ClN3O6/c1-17-7-12-22(35(40)41)16-23(17)34-30(38)25-24-15-20(28(36)18-5-3-2-4-6-18)13-14-33(24)27(26(25)31(34)39)29(37)19-8-10-21(32)11-9-19/h2-16,24-27H,1H3/t24-,25-,26-,27+/m1/s1InChIKey
INJJCBQCYWVAOD-CWTOASCOSA-NSynonyms
(3aR4S9aR9bS)4((4chlorophenyl)carbonyl)2(2methyl5nitrophenyl)8(phenylcarbonyl)3a49a9btetrahydro1Hpyrrolo(34a)indolizine13(2H)dione
(3aR4S9aR9bS)8benzoyl4(4chlorobenzoyl)2(2methyl5nitrophenyl)3a49a9btetrahydro1Hpyrrolo(34a)indolizine13(2H)dione
(3AR4S9AR9BS)8BENZOYL4(4CHLOROBENZOYL)2(2METHYL5NITROPHENYL)3A49A9BTETRAHYDROPYRROLO(34A)INDOLIZINE13DIONE
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=C(C=CN4C(C3C2=O)C(=O)C5=CC=C(C=C5)Cl)C(=O)C6=CC=CC=C6
Clc1ccc(cc1)C(=O)(C@H)1N2C=CC(=C(C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1cc(ccc1C)(N+)(=O)(O))C(=O)c1ccccc1
InChI=1SC31H22ClN3O6c11771222(35(40)41)1623(17)3430(38)25241520(28(36)185324618)131433(24)27(26(25)31(34)39)29(37)1981021(32)11919h2162427H1H3t24252627+m1s1
MFCD18242436
ZINC000001317197
ZINC1317197
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