Vitas-M small molecule compound

Catalog ID
STK614363
SMILES COc1ccc(cc1NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cccc1Cl)C(O)C)Cl

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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 C21H21Cl2N3O4 MW 450.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2N3O4/c1-10(27)15-9-13(19(28)24-16-8-11(22)6-7-17(16)30-2)21(26-15)12-4-3-5-14(23)18(12)25-20(21)29/h3-8,10,13,15,26-27H,9H2,1-2H3,(H,24,28)(H,25,29)/t10?,13-,15-,21+/m1/s1
InChIKey
PWELUGYZBKZIOU-NUBRBQLBSA-N
Synonyms
1014024-07-7
(2R3S5R)7chloroN(5chloro2methoxyphenyl)5((S)1hydroxyethyl)2oxospiro(indoline32pyrrolidine)3carboxamide
(3R3S5R)7chloroN(5chloro2methoxyphenyl)5(1hydroxyethyl)2oxospiro(1Hindole32pyrrolidine)3carboxamide
1014024077
CC(C1CC(C2(N1)C3=C(C(=CC=C3)Cl)NC2=O)C(=O)NC4=C(C=CC(=C4)Cl)OC)O
COc1ccc(cc1NC(=O)(C@H)1C(C@@H)(N(C@@)21C(=O)Nc1c2cccc1Cl)C(O)C)Cl
InChI=1SC21H21Cl2N3O4c110(27)15913(19(28)2416811(22)6717(16)302)21(2615)1243514(23)18(12)2520(21)29h381013152627H9H212H3(H2428)(H2529)t10?131521+m1s1
MFCD10488335
ZINC000013592204
ZINC000057142871

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.