Vitas-M small molecule compound

N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-L-isoleucine

Catalog ID
STK552105
SMILES CC[C@@H]([C@@H](C(=O)O)Nc1nc(Cc2ccccc2)nc2c1c1CCCCc1s2)C

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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 C23H27N3O2S MW 409.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O2S/c1-3-14(2)20(23(27)28)26-21-19-16-11-7-8-12-17(16)29-22(19)25-18(24-21)13-15-9-5-4-6-10-15/h4-6,9-10,14,20H,3,7-8,11-13H2,1-2H3,(H,27,28)(H,24,25,26)/t14-,20-/m0/s1
InChIKey
HMVDEHHXIYNMKX-XOBRGWDASA-N
Synonyms
1491141-37-7
(2S3S)2((2benzyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4yl)azaniumyl)3methylpentanoate
(2S3S)2((2benzyl5678tetrahydrobenzo(45)thieno(23d)pyrimidin4yl)amino)3methylpentanoicacid
1491141377
CC(C@@H)((C@@H)(C(=O)O)Nc1nc(Cc2ccccc2)nc2c1c1CCCCc1s2)C
CCC(C)C(C(=O)(O))(NH2+)C1=C2C3=C(CCCC3)SC2=NC(=N1)CC4=CC=CC=C4
InChI=1SC23H27N3O2Sc1314(2)20(23(27)28)2621191611781217(16)2922(19)2518(2421)131595461015h469101420H3781113H212H3(H2728)(H242526)t1420m0s1
MFCD18242625
N(2benzyl5678tetrahydro(1)benzothieno(23d)pyrimidin4yl)Lisoleucine
ZINC000002257861
ZINC2257861

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Available files

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