Vitas-M small molecule compound
N-[(6'-methyl-8'-oxo-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-7'-yl)acetyl]-L-valine
Catalog ID
STL534885
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)OC2(CC1)CCCCC2)N[C@H](C(=O)O)C(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 C25H31NO6 MW 441.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO6/c1-14(2)22(23(28)29)26-21(27)12-18-15(3)17-11-16-7-10-25(8-5-4-6-9-25)32-19(16)13-20(17)31-24(18)30/h11,13-14,22H,4-10,12H2,1-3H3,(H,26,27)(H,28,29)/t22-/m0/s1InChIKey
XXDQWHTWMFHMTN-QFIPXVFZSA-NSynonyms
956952-08-2(2~(S))3methyl2((2(6methyl8oxospiro(34dihydropyrano(32g)chromene21cyclohexane)7yl)acetyl)amino)butanoicacid
(S)3methyl2(2(6methyl8oxo48dihydro3Hspiro(cyclohexane12pyrano(32g)chromen)7yl)acetamido)butanoicacid
16407833
956952082
InChI=1SC25H31NO6c114(2)22(23(28)29)2621(27)121815(3)17111671025(8546925)3219(16)1320(17)3124(18)30h11131422H41012H213H3(H2627)(H2829)t22m0s1
N((6methyl8oxo34dihydro8Hspiro(cyclohexane12pyrano(32g)chromen)7yl)acetyl)Lvaline
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)OC2(CC1)CCCCC2)N(C@H)(C(=O)O)C(C)C
ZINC000008880021
ZINC8880021
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