Vitas-M small molecule compound
1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Catalog ID
STL176299
SMILES COc1ccc(cc1CSc1nc2c(s1)cccc2)C1NC(Cc2c1[nH]c1c2cccc1)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 C27H23N3O3S2 MW 501.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O3S2/c1-33-22-11-10-15(12-16(22)14-34-27-30-20-8-4-5-9-23(20)35-27)24-25-18(13-21(29-24)26(31)32)17-6-2-3-7-19(17)28-25/h2-12,21,24,28-29H,13-14H2,1H3,(H,31,32)InChIKey
WGOJINLFMMHVFP-UHFFFAOYSA-NSynonyms
1024023-12-81(3((13benzothiazol2ylsulfanyl)methyl)4methoxyphenyl)2349tetrahydro1Hbetacarboline3carboxylicacid
1(3((benzo(d)thiazol2ylthio)methyl)4methoxyphenyl)2349tetrahydro1Hpyrido(34b)indole3carboxylicacid
1(3(13benzothiazol2ylsulfanylmethyl)4methoxyphenyl)2349tetrahydro1Hpyrido(34b)indole3carboxylicacid
1024023128
COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)CSC5=NC6=CC=CC=C6S5
COc1ccc(cc1CSc1nc2c(s1)cccc2)C1NC(Cc2c1(nH)c1c2cccc1)C(=O)O
InChI=1SC27H23N3O3S2c13322111015(1216(22)1434273020845923(20)3527)242518(1321(2924)26(31)32)17623719(17)2825h21221242829H1314H21H3(H3132)
MFCD02925896
ZINC000002139666
ZINC000002139670
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