Vitas-M small molecule compound
[1-(carboxymethyl)-1H-indol-3-yl][4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]acetic acid
Catalog ID
STK656453
SMILES OC(=O)Cn1cc(c2c1cccc2)C(N1CCN(CC1)C1CCS(=O)(=O)C1)C(=O)O
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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 C20H25N3O6S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O6S/c24-18(25)12-23-11-16(15-3-1-2-4-17(15)23)19(20(26)27)22-8-6-21(7-9-22)14-5-10-30(28,29)13-14/h1-4,11,14,19H,5-10,12-13H2,(H,24,25)(H,26,27)InChIKey
HCRVMOPEPCCSFT-UHFFFAOYSA-NSynonyms
1214815-73-2(1(carboxymethyl)1Hindol3yl)(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)aceticacid
1214815732
2(1(carboxymethyl)1Hindol3yl)2(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)aceticacid
2(1(carboxymethyl)indol3yl)2(4(11dioxothiolan3yl)piperazin1yl)aceticacid
C1CS(=O)(=O)CC1N2CCN(CC2)C(C3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)O
InChI=1SC20H25N3O6Sc2418(25)12231116(15312417(15)23)19(20(26)27)228621(7922)1451030(2829)1314h14111419H5101213H2(H2425)(H2627)
MFCD13758094
ZINC000036358630
ZINC000036358633
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