Vitas-M small molecule compound

3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate

Catalog ID
STL462709
SMILES CC[C@H]([C@@H](C(=O)Oc1cc2oc(=O)c(c(c2cc1Cl)C)Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C)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 C30H30ClNO6S MW 568.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30ClNO6S/c1-5-19(3)28(32-39(35,36)22-13-11-18(2)12-14-22)30(34)38-27-17-26-23(16-25(27)31)20(4)24(29(33)37-26)15-21-9-7-6-8-10-21/h6-14,16-17,19,28,32H,5,15H2,1-4H3/t19-,28+/m1/s1
InChIKey
NIPJHWKVKMUSSO-GDJIYFAZSA-N
Synonyms
1173666-43-7
(2S3R)3benzyl6chloro4methyl2oxo2Hchromen7yl3methyl2(4methylphenylsulfonamido)pentanoate
(3BENZYL6CHLORO4METHYL2OXOCHROMEN7YL)(2S3R)3METHYL2((4METHYLPHENYL)SULFONYLAMINO)PENTANOATE
1173666437
3benzyl6chloro4methyl2oxo2Hchromen7ylN((4methylphenyl)sulfonyl)Lisoleucinate
CC(C@H)((C@@H)(C(=O)Oc1cc2oc(=O)c(c(c2cc1Cl)C)Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C)C
CCC(C)C(C(=O)OC1=C(C=C2C(=C(C(=O)OC2=C1)CC3=CC=CC=C3)C)Cl)NS(=O)(=O)C4=CC=C(C=C4)C
InChI=1SC30H30ClNO6Sc1519(3)28(3239(3536)22131118(2)121422)30(34)3827172623(1625(27)31)20(4)24(29(33)3726)152197681021h6141617192832H515H214H3t1928+m1s1
MFCD10041203
ZINC000002148121
ZINC2148121

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Available files

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