Vitas-M small molecule compound

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

Catalog ID
STK597755
SMILES CCCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)Cl)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 C36H29ClN2O4 MW 589.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H29ClN2O4/c1-2-21-43-29-14-8-5-11-26(29)33(41)31-30(32(40)23-15-17-24(37)18-16-23)36(27-12-6-7-13-28(27)38-35(36)42)34-25-10-4-3-9-22(25)19-20-39(31)34/h3-20,30-31,34H,2,21H2,1H3,(H,38,42)/t30-,31-,34+,36+/m0/s1
InChIKey
KYWVCBVBCIIXTB-UOWMXVQPSA-N
Synonyms
1177882-74-4
(1S2S3S10bR)2(4chlorobenzoyl)3(2propoxybenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)2((4chlorophenyl)carbonyl)3((2propoxyphenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)2(4chlorobenzoyl)3(2propoxybenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1177882744
CCCOC1=CC=CC=C1C(=O)C2C(C3(C4N2C=CC5=CC=CC=C45)C6=CC=CC=C6NC3=O)C(=O)C7=CC=C(C=C7)Cl
CCCOc1ccccc1C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1ccc(cc1)Cl)C(=O)Nc1c2cccc1)cccc3
InChI=1SC36H29ClN2O4c1221432914851126(29)33(41)3130(32(40)23151724(37)181623)36(2712671328(27)3835(36)42)34251043922(25)192039(31)34h320303134H221H21H3(H3842)t303134+36+m0s1
MFCD08284510
ZINC000101381269
ZINC101381269

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Available files

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