Vitas-M small molecule compound

(3R)-N-[(2S)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Catalog ID
STL007993
SMILES O=C([C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)Cc1ccccc1)NC1CCCC1

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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 C27H31N3O3S MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3S/c1-27(2)22(30-25(33)19-14-8-9-15-20(19)26(30)34-27)24(32)29-21(16-17-10-4-3-5-11-17)23(31)28-18-12-6-7-13-18/h3-5,8-11,14-15,18,21-22,26H,6-7,12-13,16H2,1-2H3,(H,28,31)(H,29,32)/t21-,22+,26?/m0/s1
InChIKey
YUCWLEYVHFLZSQ-SMWUWQHRSA-N
Synonyms
1014065-19-0
(3R)N((2S)1(cyclopentylamino)1oxo3phenylpropan2yl)22dimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((2S)1(cyclopentylamino)1oxo3phenylpropan2yl)22dimethyl5oxo39bdihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((S)1(cyclopentylamino)1oxo3phenylpropan2yl)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
1014065190
CC1(C(N2C(S1)C3=CC=CC=C3C2=O)C(=O)NC(CC4=CC=CC=C4)C(=O)NC5CCCC5)C
InChI=1SC27H31N3O3Sc127(2)22(3025(33)1914891520(19)26(30)3427)24(32)2921(1617104351117)23(31)281812671318h35811141518212226H67121316H212H3(H2831)(H2932)t2122+26?m0s1
MFCD08284766
O=C((C@@H)(NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)Cc1ccccc1)NC1CCCC1
ZINC000009130476
ZINC000013592360

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Available files

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