Vitas-M small molecule compound
N-[4-({5-[(Z)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene}methyl]-2-methoxybenzyl}oxy)phenyl]acetamide
Catalog ID
STK559841
SMILES COc1ccc(cc1COc1ccc(cc1)NC(=O)C)/C=C\1/C(=O)N=C(N(C1=O)CCC1=CCCCC1)S
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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 C29H31N3O5S MW 533.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O5S/c1-19(33)30-23-9-11-24(12-10-23)37-18-22-16-21(8-13-26(22)36-2)17-25-27(34)31-29(38)32(28(25)35)15-14-20-6-4-3-5-7-20/h6,8-13,16-17H,3-5,7,14-15,18H2,1-2H3,(H,30,33)(H,31,34,38)/b25-17-InChIKey
WDMMSDIQTOZBAZ-UQQQWYQISA-NSynonyms
CC(=O)NC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=C3C(=O)NC(=S)N(C3=O)CCC4=CCCCC4)OC
COc1ccc(cc1COc1ccc(cc1)NC(=O)C)C=C1C(=O)N=C(N(C1=O)CCC1=CCCCC1)S
InChI=1SC29H31N3O5Sc119(33)302391124(121023)3718221621(81326(22)362)172527(34)3129(38)32(28(25)35)1514206435720h68131617H357141518H212H3(H3033)(H313438)b2517
MFCD03804887
N(4((5((Z)(1(2(cyclohex1en1yl)ethyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)2methoxybenzyl)oxy)phenyl)acetamide
N(4((5((Z)(1(2(CYCLOHEXEN1YL)ETHYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENYL)METHOXY)PHENYL)ACETAMIDE
ZINC000097966795
ZINC97966795
Check stock
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Check stock on Vitas-MAvailable files
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