Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-3'-[(3-bromo-4-methoxyphenyl)carbonyl]-2'-(thiophen-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK546236
SMILES COc1ccc(cc1Br)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccs1)C(=O)Nc1c2cccc1)cccc3

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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 C32H23BrN2O4S MW 611.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H23BrN2O4S/c1-39-24-13-12-19(17-22(24)33)28(36)27-26(29(37)25-11-6-16-40-25)32(21-9-4-5-10-23(21)34-31(32)38)30-20-8-3-2-7-18(20)14-15-35(27)30/h2-17,26-27,30H,1H3,(H,34,38)/t26-,27-,30+,32+/m0/s1
InChIKey
CXOORHNTCPCQNC-DJLQPTFLSA-N
Synonyms

(1S2S3S10bR)3(3bromo4methoxybenzoyl)2(thiophene2carbonyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3((3bromo4methoxyphenyl)carbonyl)2(thiophen2ylcarbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(3bromo4methoxybenzoyl)2(thiophene2carbonyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
COC1=C(C=C(C=C1)C(=O)C2C(C3(C4N2C=CC5=CC=CC=C45)C6=CC=CC=C6NC3=O)C(=O)C7=CC=CS7)Br
COc1ccc(cc1Br)C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1cccs1)C(=O)Nc1c2cccc1)cccc3
InChI=1SC32H23BrN2O4Sc13924131219(1722(24)33)28(36)2726(29(37)25116164025)32(219451023(21)3431(32)38)3020832718(20)141535(27)30h217262730H1H3(H3438)t262730+32+m0s1
MFCD18242277
ZINC000102443960
ZINC102443960

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Available files

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