Vitas-M small molecule compound

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

Catalog ID
STL464544
SMILES O=C(N[C@H](C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCC1)Cc1ccccc1)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 C29H25NO6 MW 483.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25NO6/c31-27-24-13-7-12-22(24)23-15-14-21(17-26(23)36-27)35-28(32)25(16-19-8-3-1-4-9-19)30-29(33)34-18-20-10-5-2-6-11-20/h1-6,8-11,14-15,17,25H,7,12-13,16,18H2,(H,30,33)/t25-/m0/s1
InChIKey
MDGKZKJBNXYBGQ-VWLOTQADSA-N
Synonyms

(4OXO23DIHYDRO1HCYCLOPENTA(C)CHROMEN7YL)(2S)3PHENYL2(PHENYLMETHOXYCARBONYLAMINO)PROPANOATE
4oxo1234tetrahydrocyclopenta(c)chromen7yl2(((benzyloxy)carbonyl)amino)3phenylpropanoate
4oxo1234tetrahydrocyclopenta(c)chromen7ylN((benzyloxy)carbonyl)Lphenylalaninate
C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OC(=O)C(CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5
InChI=1SC29H25NO6c3127241371222(24)23151421(1726(23)3627)3528(32)25(16198314919)3029(33)341820105261120h1681114151725H712131618H2(H3033)t25m0s1
MFCD08483580
O=C(N(C@H)(C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCC1)Cc1ccccc1)OCc1ccccc1
O=C(NC(C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCC1)Cc1ccccc1)OCc1ccccc1
ZINC000002116493
ZINC02116493
ZINC2116493

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Available files

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