Vitas-M small molecule compound
methyl 3-[(E)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene}methyl]-1H-indole-2-carboxylate
Catalog ID
STL327448
SMILES COC(=O)c1[nH]c2c(c1/C=C/1\C(=O)NC(=O)N(C1=O)CCC1=CCCCC1)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 C23H23N3O5 MW 421.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O5/c1-31-22(29)19-16(15-9-5-6-10-18(15)24-19)13-17-20(27)25-23(30)26(21(17)28)12-11-14-7-3-2-4-8-14/h5-7,9-10,13,24H,2-4,8,11-12H2,1H3,(H,25,27,30)/b17-13+InChIKey
RNDOXKJFAXTNED-GHRIWEEISA-NSynonyms
(E)methyl3((1(2(cyclohex1en1yl)ethyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindole2carboxylate
COC(=O)c1(nH)c2c(c1C=C1C(=O)NC(=O)N(C1=O)CCC1=CCCCC1)cccc2
COC(=O)C1=C(C2=CC=CC=C2N1)C=C3C(=O)NC(=O)N(C3=O)CCC4=CCCCC4
InChI=1SC23H23N3O5c13122(29)1916(159561018(15)2419)131720(27)2523(30)26(21(17)28)1211147324814h579101324H2481112H21H3(H252730)b1713+
methyl3((E)(1(2(cyclohex1en1yl)ethyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindole2carboxylate
METHYL3((E)(1(2(CYCLOHEXEN1YL)ETHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)1HINDOLE2CARBOXYLATE
MFCD01926337
ZINC000009044288
ZINC9044288
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