Vitas-M small molecule compound
(2'S,3S,3'S,10b'R)-2'-[(3-nitrophenyl)carbonyl]-3'-{[4-(propan-2-yloxy)phenyl]carbonyl}-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Catalog ID
STK599547
SMILES CC(Oc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1c2cccc1)cccc3)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 C36H29N3O6 MW 599.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H29N3O6/c1-21(2)45-26-16-14-23(15-17-26)33(41)31-30(32(40)24-9-7-10-25(20-24)39(43)44)36(28-12-5-6-13-29(28)37-35(36)42)34-27-11-4-3-8-22(27)18-19-38(31)34/h3-21,30-31,34H,1-2H3,(H,37,42)/t30-,31-,34+,36+/m0/s1InChIKey
NNMUSNAJXQOONC-UOWMXVQPSA-NSynonyms
1212161-63-1(1S2S3S10bR)3(4isopropoxybenzoyl)2(3nitrobenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)2((3nitrophenyl)carbonyl)3((4(propan2yloxy)phenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)2(3nitrobenzoyl)3(4propan2yloxybenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212161631
CC(C)OC1=CC=C(C=C1)C(=O)C2C(C3(C4N2C=CC5=CC=CC=C45)C6=CC=CC=C6NC3=O)C(=O)C7=CC(=CC=C7)(N+)(=O)(O)
CC(Oc1ccc(cc1)C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1cccc(c1)(N+)(=O)(O))C(=O)Nc1c2cccc1)cccc3)C
InChI=1SC36H29N3O6c121(2)4526161423(151726)33(41)3130(32(40)24971025(2024)39(43)44)36(2812561329(28)3735(36)42)34271143822(27)181938(31)34h321303134H12H3(H3742)t303134+36+m0s1
MFCD18158574
ZINC000101672301
ZINC101672301
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