Vitas-M small molecule compound

methyl 3-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl}amino)-5-chloro-1H-indole-2-carboxylate

Catalog ID
STK539777
SMILES COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)Cc1ccc3c(c1)OCO3)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 C25H27ClN4O5 MW 498.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN4O5/c1-15(24(31)28-22-18-12-17(26)4-5-19(18)27-23(22)25(32)33-2)30-9-7-29(8-10-30)13-16-3-6-20-21(11-16)35-14-34-20/h3-6,11-12,15,27H,7-10,13-14H2,1-2H3,(H,28,31)
InChIKey
DDPVNNVUXXWPTF-UHFFFAOYSA-N
Synonyms
371117-22-5
371117225
CC(C(=O)NC1=C(NC2=C1C=C(C=C2)Cl)C(=O)OC)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
COC(=O)c1(nH)c2c(c1NC(=O)C(N1CCN(CC1)Cc1ccc3c(c1)OCO3)C)cc(cc2)Cl
InChI=1SC25H27ClN4O5c115(24(31)2822181217(26)4519(18)2723(22)25(32)332)309729(81030)1316362021(1116)35143420h3611121527H7101314H212H3(H2831)
methyl3((2(4(13benzodioxol5ylmethyl)piperazin1yl)propanoyl)amino)5chloro1Hindole2carboxylate
METHYL3(2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)PROPANOYLAMINO)5CHLORO1HINDOLE2CARBOXYLATE
METHYL3(2(4(2H13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)PROPANAMIDO)5CHLORO1HINDOLE2CARBOXYLATE
methyl3(2(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)propanamido)5chloro1Hindole2carboxylate
MFCD03007574
ZINC000019372520
ZINC000019372524

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Available files

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