Vitas-M small molecule compound

(5Z)-5-({1-[3-(4-chloro-3-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-3-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione

Catalog ID
STK561801
SMILES O=C1N=C(O)/C(=C/c2cn(c3c2cccc3)CCCOc2ccc(c(c2)C)Cl)/C(=O)N1Cc1ccco1

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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 C28H24ClN3O5 MW 517.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24ClN3O5/c1-18-14-20(9-10-24(18)29)36-13-5-11-31-16-19(22-7-2-3-8-25(22)31)15-23-26(33)30-28(35)32(27(23)34)17-21-6-4-12-37-21/h2-4,6-10,12,14-16H,5,11,13,17H2,1H3,(H,30,33,35)/b23-15-
InChIKey
XDXBVMWVZNUOHM-HAHDFKILSA-N
Synonyms
673493-39-5
(5Z)5((1(3(4chloro3methylphenoxy)propyl)1Hindol3yl)methylidene)3(furan2ylmethyl)6hydroxypyrimidine24(3H5H)dione
(5Z)5((1(3(4CHLORO3METHYLPHENOXY)PROPYL)INDOL3YL)METHYLIDENE)1(FURAN2YLMETHYL)13DIAZINANE246TRIONE
673493395
CC1=C(C=CC(=C1)OCCCN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=O)N(C4=O)CC5=CC=CO5)Cl
InChI=1SC28H24ClN3O5c1181420(91024(18)29)3613511311619(22723825(22)31)152326(33)3028(35)32(27(23)34)172164123721h24610121416H5111317H21H3(H303335)b2315
MFCD04080273
O=C1N=C(O)C(=Cc2cn(c3c2cccc3)CCCOc2ccc(c(c2)C)Cl)C(=O)N1Cc1ccco1
ZINC000002193543
ZINC02193543
ZINC17197088
ZINC2193543

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Available files

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