Vitas-M small molecule compound

methyl 5-chloro-3-{[N-(1,3-dioxolan-2-ylmethyl)-N-methylalanyl]amino}-1H-indole-2-carboxylate

Catalog ID
STK543307
SMILES COC(=O)c1[nH]c2c(c1NC(=O)C(N(CC1OCCO1)C)C)cc(cc2)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 C18H22ClN3O5 MW 395.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22ClN3O5/c1-10(22(2)9-14-26-6-7-27-14)17(23)21-15-12-8-11(19)4-5-13(12)20-16(15)18(24)25-3/h4-5,8,10,14,20H,6-7,9H2,1-3H3,(H,21,23)
InChIKey
SUHPFMIBOMFBCE-UHFFFAOYSA-N
Synonyms
1007931-67-0
1007931670
CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Cl)C(=O)OC)N(C)CC3OCCO3
COC(=O)c1(nH)c2c(c1NC(=O)C(N(CC1OCCO1)C)C)cc(cc2)Cl
InChI=1SC18H22ClN3O5c110(22(2)91426672714)17(23)211512811(19)4513(12)2016(15)18(24)253h458101420H679H213H3(H2123)
methyl3(2(((13dioxolan2yl)methyl)(methyl)amino)propanamido)5chloro1Hindole2carboxylate
methyl5chloro3((N(13dioxolan2ylmethyl)Nmethylalanyl)amino)1Hindole2carboxylate
METHYL5CHLORO3((N(13DIOXOLAN2YLMETHYL)NMETHYLDALANYL)AMINO)1HINDOLE2CARBOXYLATE
METHYL5CHLORO3((N(13DIOXOLAN2YLMETHYL)NMETHYLLALANYL)AMINO)1HINDOLE2CARBOXYLATE
METHYL5CHLORO3(2(13DIOXOLAN2YLMETHYL(METHYL)AMINO)PROPANOYLAMINO)1HINDOLE2CARBOXYLATE
MFCD03297875
ZINC000002284487
ZINC000002284488

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Available files

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