Vitas-M small molecule compound

8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]-L-tryptophanate

Catalog ID
STL461807
SMILES O=C(N[C@H](C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)Cc1c[nH]c2c1cccc2)OCc1ccccc1

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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 C31H25ClN2O6 MW 557.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25ClN2O6/c32-24-14-23-21-10-6-11-22(21)29(35)39-27(23)15-28(24)40-30(36)26(13-19-16-33-25-12-5-4-9-20(19)25)34-31(37)38-17-18-7-2-1-3-8-18/h1-5,7-9,12,14-16,26,33H,6,10-11,13,17H2,(H,34,37)/t26-/m0/s1
InChIKey
AIVTULPSVKZECH-SANMLTNESA-N
Synonyms

(8CHLORO4OXO23DIHYDRO1HCYCLOPENTA(C)CHROMEN7YL)(2S)3(1HINDOL3YL)2(PHENYLMETHOXYCARBONYLAMINO)PROPANOATE
(S)8chloro4oxo1234tetrahydrocyclopenta(c)chromen7yl2(((benzyloxy)carbonyl)amino)3(1Hindol3yl)propanoate
8chloro4oxo1234tetrahydrocyclopenta(c)chromen7ylN((benzyloxy)carbonyl)Ltryptophanate
C1CC2=C(C1)C(=O)OC3=CC(=C(C=C23)Cl)OC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)OCC6=CC=CC=C6
InChI=1SC31H25ClN2O6c32241423211061122(21)29(35)3927(23)1528(24)4030(36)26(13191633251254920(19)25)3431(37)3817187213818h15791214162633H610111317H2(H3437)t26m0s1
MFCD04012155
O=C(N(C@H)(C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)Cc1c(nH)c2c1cccc2)OCc1ccccc1
ZINC000002604507
ZINC2604507

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Available files

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