Vitas-M small molecule compound

4-butyl-6-chloro-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-L-isoleucinate

Catalog ID
STK581589
SMILES CC[C@H]([C@@H](C(=O)Oc1cc2oc(=O)cc(c2cc1Cl)CCCC)NC(=O)OCc1ccccc1)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 C27H30ClNO6 MW 499.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30ClNO6/c1-4-6-12-19-13-24(30)34-22-15-23(21(28)14-20(19)22)35-26(31)25(17(3)5-2)29-27(32)33-16-18-10-8-7-9-11-18/h7-11,13-15,17,25H,4-6,12,16H2,1-3H3,(H,29,32)/t17-,25+/m1/s1
InChIKey
HCQUJQFBHGZOHI-NSYGIPOTSA-N
Synonyms
1013753-92-8
(2S3R)4butyl6chloro2oxo2Hchromen7yl2(((benzyloxy)carbonyl)amino)3methylpentanoate
(4butyl6chloro2oxochromen7yl)(2S3R)3methyl2(phenylmethoxycarbonylamino)pentanoate
1013753928
4butyl6chloro2oxo2Hchromen7ylN((benzyloxy)carbonyl)Lisoleucinate
CC(C@H)((C@@H)(C(=O)Oc1cc2oc(=O)cc(c2cc1Cl)CCCC)NC(=O)OCc1ccccc1)C
CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C(C)CC)NC(=O)OCC3=CC=CC=C3
InChI=1SC27H30ClNO6c14612191324(30)34221523(21(28)1420(19)22)3526(31)25(17(3)52)2927(32)331618108791118h71113151725H461216H213H3(H2932)t1725+m1s1
MFCD18245678
ZINC000009187599
ZINC09187599
ZINC9187599

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Available files

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