Vitas-M small molecule compound

N-(1,3-benzodioxol-5-ylmethyl)-4-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]butanamide

Catalog ID
STL145720
SMILES O=C(NCc1ccc2c(c1)OCO2)CCCn1c(=O)n(CC(=O)NCCC2=CCCCC2)c2c(c1=O)cccc2

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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 C30H34N4O6 MW 546.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O6/c35-27(32-18-22-12-13-25-26(17-22)40-20-39-25)11-6-16-33-29(37)23-9-4-5-10-24(23)34(30(33)38)19-28(36)31-15-14-21-7-2-1-3-8-21/h4-5,7,9-10,12-13,17H,1-3,6,8,11,14-16,18-20H2,(H,31,36)(H,32,35)
InChIKey
KHXBOMDIXRFMGW-UHFFFAOYSA-N
Synonyms
899910-59-9
899910599
C1CCC(=CC1)CCNC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CCCC(=O)NCC4=CC5=C(C=C4)OCO5
InChI=1SC30H34N4O6c3527(32182212132526(1722)40203925)116163329(37)239451024(23)34(30(33)38)1928(36)311514217213821h457910121317H13681114161820H2(H3136)(H3235)
MFCD14737578
N(13benzodioxol5ylmethyl)4(1(2((2(cyclohex1en1yl)ethyl)amino)2oxoethyl)24dioxo14dihydroquinazolin3(2H)yl)butanamide
N(13BENZODIOXOL5YLMETHYL)4(1(2((2CYCLOHEX1EN1YLETHYL)AMINO)2OXOETHYL)24DIOXO14DIHYDROQUINAZOLIN3(2H)YL)BUTANAMIDE
N(13benzodioxol5ylmethyl)4(1(2(2(cyclohexen1yl)ethylamino)2oxoethyl)24dioxoquinazolin3yl)butanamide
N(BENZO(D)(13)DIOXOL5YLMETHYL)4(1(2((2(CYCLOHEX1EN1YL)ETHYL)AMINO)2OXOETHYL)24DIOXO12DIHYDROQUINAZOLIN3(4H)YL)BUTANAMIDE
ZINC000101304928
ZINC101304928

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Available files

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