Vitas-M small molecule compound
5-methyl-4-oxo-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STL079768
SMILES OC(=O)c1sc2c(c1C)c(=O)[nH]c(n2)SC/C=C/c1ccccc1
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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 C17H14N2O3S2 MW 358.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O3S2/c1-10-12-14(20)18-17(19-15(12)24-13(10)16(21)22)23-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3,(H,21,22)(H,18,19,20)/b8-5+InChIKey
JZKRSIOIWPJKFT-VMPITWQZSA-NSynonyms
5methyl4oxo2(((2E)3phenylprop2en1yl)sulfanyl)34dihydrothieno(23d)pyrimidine6carboxylicacid
5METHYL4OXO2((E)3PHENYLPROP2ENYL)SULFANYL3HTHIENO(23D)PYRIMIDINE6CARBOXYLICACID
CC1=C(SC2=C1C(=O)NC(=N2)SCC=CC3=CC=CC=C3)C(=O)O
InChI=1SC17H14N2O3S2c1101214(20)1817(1915(12)2413(10)16(21)22)23958116324711h28H9H21H3(H2122)(H181920)b85+
MFCD02658331
OC(=O)c1sc2c(c1C)c(=O)(nH)c(n2)SCC=Cc1ccccc1
ZINC000004094680
ZINC4094680
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