Vitas-M small molecule compound
5-{3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK005755
SMILES COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCCOc1ccc(cc1)C)Cl
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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 C21H19ClN2O5S MW 446.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O5S/c1-12-3-5-14(6-4-12)28-7-8-29-18-16(22)10-13(11-17(18)27-2)9-15-19(25)23-21(30)24-20(15)26/h3-6,9-11H,7-8H2,1-2H3,(H2,23,24,25,26,30)InChIKey
WHEFEFUMVWHXGV-UHFFFAOYSA-NSynonyms
5((3CHLORO5METHOXY4(2(4METHYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(3CHLORO5METHOXY4(2(4METHYLPHENOXY)ETHOXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2Cl)C=C3C(=O)NC(=S)NC3=O)OC
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCCOc1ccc(cc1)C)Cl
InChI=1SC21H19ClN2O5Sc1123514(6412)2878291816(22)1013(1117(18)272)91519(25)2321(30)2420(15)26h36911H78H212H3(H22324252630)
MFCD02017771
STK005755
ZINC000012285273
ZINC12285273
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