Vitas-M small molecule compound
ethyl 2-{[(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK720005
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc3c(n2)[nH]c2c3cccc2)sc2c1CCC2
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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 C21H19N5O3S2 MW 453.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O3S2/c1-2-29-20(28)16-12-7-5-9-14(12)31-19(16)23-15(27)10-30-21-24-18-17(25-26-21)11-6-3-4-8-13(11)22-18/h3-4,6,8H,2,5,7,9-10H2,1H3,(H,23,27)(H,22,24,26)InChIKey
NEGRPJUAHKWJAE-UHFFFAOYSA-NSynonyms
330555-27-6330555276
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3
CCOC(=O)c1c(NC(=O)CSc2nnc3c(n2)(nH)c2c3cccc2)sc2c1CCC2
ethyl2(((5H(124)triazino(56b)indol3ylsulfanyl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ETHYL2((2(5H(124)TRIAZINO(56B)INDOL3YLSULFANYL)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
InChI=1SC21H19N5O3S2c122920(28)161275914(12)3119(16)2315(27)103021241817(252621)11634813(11)2218h3468H257910H21H3(H2327)(H222426)
MFCD01819843
ZINC000002751052
ZINC02751052
ZINC2751052
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