Vitas-M small molecule compound
methyl 3-{(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indole-2-carboxylate
Catalog ID
STL037428
SMILES COC(=O)c1[nH]c2c(c1/C=C/1\C(=O)N=C(N(C1=O)c1ccccc1F)S)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 C21H14FN3O4S MW 423.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14FN3O4S/c1-29-20(28)17-12(11-6-2-4-8-15(11)23-17)10-13-18(26)24-21(30)25(19(13)27)16-9-5-3-7-14(16)22/h2-10,23H,1H3,(H,24,26,30)/b13-10+InChIKey
VFSKBBQDVLNLIG-JLHYYAGUSA-NSynonyms
COC(=O)c1(nH)c2c(c1C=C1C(=O)N=C(N(C1=O)c1ccccc1F)S)cccc2
COC(=O)C1=C(C2=CC=CC=C2N1)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F
InChI=1SC21H14FN3O4Sc12920(28)1712(11624815(11)2317)101318(26)2421(30)25(19(13)27)16953714(16)22h21023H1H3(H242630)b1310+
methyl3((E)(1(2fluorophenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)1Hindole2carboxylate
METHYL3((E)(1(2FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)1HINDOLE2CARBOXYLATE
MFCD03816650
ZINC000009339721
ZINC9339721
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