Vitas-M small molecule compound

[2-(4-methoxyphenyl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl]{6-[(2-methylpropanoyl)amino]-1H-indol-3-yl}acetic acid

Catalog ID
STK657557
SMILES COc1ccc(cc1)c1nc2c(s1)CN(CC2)C(c1c[nH]c2c1ccc(c2)NC(=O)C(C)C)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 C27H28N4O4S MW 504.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O4S/c1-15(2)25(32)29-17-6-9-19-20(13-28-22(19)12-17)24(27(33)34)31-11-10-21-23(14-31)36-26(30-21)16-4-7-18(35-3)8-5-16/h4-9,12-13,15,24,28H,10-11,14H2,1-3H3,(H,29,32)(H,33,34)
InChIKey
WPWMAIMICNJEOG-UHFFFAOYSA-N
Synonyms
1214219-34-7
(2(4methoxyphenyl)67dihydro(13)thiazolo(54c)pyridin5(4H)yl)(6((2methylpropanoyl)amino)1Hindol3yl)aceticacid
1214219347
2(2(4methoxyphenyl)67dihydro4H(13)thiazolo(54c)pyridin5yl)2(6(2methylpropanoylamino)1Hindol3yl)aceticacid
2(6isobutyramido1Hindol3yl)2(2(4methoxyphenyl)67dihydrothiazolo(54c)pyridin5(4H)yl)aceticacid
CC(C)C(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)O)N3CCC4=C(C3)SC(=N4)C5=CC=C(C=C5)OC
COc1ccc(cc1)c1nc2c(s1)CN(CC2)C(c1c(nH)c2c1ccc(c2)NC(=O)C(C)C)C(=O)O
InChI=1SC27H28N4O4Sc115(2)25(32)2917691920(132822(19)1217)24(27(33)34)3111102123(1431)3626(3021)164718(353)8516h491213152428H101114H213H3(H2932)(H3334)
MFCD13758273
ZINC000036358849
ZINC000036358850

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Available files

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