Vitas-M small molecule compound
diethyl 3-methyl-5-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1H-pyrrole-2,4-dicarboxylate
Catalog ID
STK125091
SMILES CCOC(=O)c1c(CSc2nnc3c(n2)n(CC=C)c2c3cccc2)[nH]c(c1C)C(=O)OCC
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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 C24H25N5O4S MW 479.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N5O4S/c1-5-12-29-17-11-9-8-10-15(17)20-21(29)26-24(28-27-20)34-13-16-18(22(30)32-6-2)14(4)19(25-16)23(31)33-7-3/h5,8-11,25H,1,6-7,12-13H2,2-4H3InChIKey
AYSIINVMZKISKU-UHFFFAOYSA-NSynonyms
350844-11-0350844110
CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=NC3=C(C4=CC=CC=C4N3CC=C)N=N2
CCOC(=O)c1c(CSc2nnc3c(n2)n(CC=C)c2c3cccc2)(nH)c(c1C)C(=O)OCC
DIETHYL3METHYL5(((5(PROP2EN1YL)5H(124)TRIAZINO(56B)INDOL3YL)SULFANYL)METHYL)1HPYRROLE24DICARBOXYLATE
DIETHYL3METHYL5((5PROP2ENYL(124)TRIAZINO(56B)INDOL3YL)SULFANYLMETHYL)1HPYRROLE24DICARBOXYLATE
InChI=1SC24H25N5O4Sc1512291711981015(17)2021(29)2624(282720)34131618(22(30)3262)14(4)19(2516)23(31)3373h581125H1671213H224H3
MFCD01239815
ZINC000002746449
ZINC02746449
ZINC2746449
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