Vitas-M small molecule compound
(5Z)-1-butyl-5-{[1-(3-chloropropyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL044458
SMILES CCCCN1C(=NC(=O)/C(=C/c2ccc3c(c2)CCN3CCCCl)/C1=O)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 C20H24ClN3O2S MW 405.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24ClN3O2S/c1-2-3-10-24-19(26)16(18(25)22-20(24)27)13-14-5-6-17-15(12-14)7-11-23(17)9-4-8-21/h5-6,12-13H,2-4,7-11H2,1H3,(H,22,25,27)/b16-13-InChIKey
DMIPSUMMOOWAFN-SSZFMOIBSA-NSynonyms
(5Z)1butyl5((1(3chloropropyl)23dihydro1Hindol5yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5Z)1BUTYL5((1(3CHLOROPROPYL)23DIHYDROINDOL5YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CCCCN1C(=NC(=O)C(=Cc2ccc3c(c2)CCN3CCCCl)C1=O)S
CCCCN1C(=O)C(=CC2=CC3=C(C=C2)N(CC3)CCCCl)C(=O)NC1=S
InChI=1SC20H24ClN3O2Sc123102419(26)16(18(25)2220(24)27)1314561715(1214)71123(17)94821h561213H24711H21H3(H222527)b1613
MFCD04073846
ZINC000006240828
ZINC06240828
ZINC6240828
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