Vitas-M small molecule compound

3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione

Catalog ID
STK529604
SMILES COc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/c1ccc2c(c1)OCO2

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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 C19H14N4O5 MW 378.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N4O5/c1-26-11-3-4-13-12(7-11)16-17(21-13)18(24)23(19(25)22-16)20-8-10-2-5-14-15(6-10)28-9-27-14/h2-8,21H,9H2,1H3,(H,22,25)/b20-8+
InChIKey
CXIJDHLHGDBKQC-DNTJNYDQSA-N
Synonyms
373618-77-0
(E)3((benzo(d)(13)dioxol5ylmethylene)amino)8methoxy1Hpyrimido(54b)indole24(3H5H)dione
3(((E)13benzodioxol5ylmethylidene)amino)8methoxy1Hpyrimido(54b)indole24(3H5H)dione
3((E)13BENZODIOXOL5YLMETHYLIDENEAMINO)8METHOXY15DIHYDROPYRIMIDO(54B)INDOLE24DIONE
373618770
COC1=CC2=C(C=C1)NC3=C2NC(=O)N(C3=O)N=CC4=CC5=C(C=C4)OCO5
COc1ccc2c(c1)c1(nH)c(=O)n(c(=O)c1(nH)2)N=Cc1ccc2c(c1)OCO2
InChI=1SC19H14N4O5c12611341312(711)1617(2113)18(24)23(19(25)2216)20810251415(610)2892714h2821H9H21H3(H2225)b208+
MFCD01949280
ZINC000002281983
ZINC4459869

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Available files

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