Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[(3S)-14-methoxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-16-yl]oxy}acetamide
Catalog ID
STL531784
SMILES COc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)c2c(c1)CCCCCC(=O)CCC[C@@H](OC2=O)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 C29H35NO8 MW 525.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35NO8/c1-19-7-6-10-22(31)9-5-3-4-8-20-15-23(34-2)17-26(28(20)29(33)38-19)37-18-27(32)30-21-11-12-24-25(16-21)36-14-13-35-24/h11-12,15-17,19H,3-10,13-14,18H2,1-2H3,(H,30,32)/t19-/m0/s1InChIKey
PBHOUYWLCCQYKT-IBGZPJMESA-NSynonyms
1212389-68-8(S)N(23dihydrobenzo(b)(14)dioxin6yl)2((14methoxy3methyl17dioxo3456789101112decahydro1Hbenzo(c)(1)oxacyclotetradecin16yl)oxy)acetamide
~(N)(23dihydro14benzodioxin6yl)2(((4~(S))16methoxy4methyl28dioxo3oxabicyclo(1240)octadeca1(14)1517trien18yl)oxy)acetamide
1212389688
16405316
COc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)c2c(c1)CCCCCC(=O)CCC(C@@H)(OC2=O)C
InChI=1SC29H35NO8c119761022(31)95348201523(342)1726(28(20)29(33)3819)371827(32)302111122425(1621)3614133524h1112151719H310131418H212H3(H3032)t19m0s1
MFCD06770009
N(23dihydro14benzodioxin6yl)2(((3S)14methoxy3methyl17dioxo3456789101112decahydro1H2benzoxacyclotetradecin16yl)oxy)acetamide
ZINC000012887417
ZINC12887417
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