Vitas-M small molecule compound
3-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[(2E)-3-phenylprop-2-enoyl]-5-(pyridin-3-yl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK818052
SMILES Cc1ccc(cc1)CSc1nnc(s1)N1C(c2cccnc2)C(=C(C1=O)O)C(=O)/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 C28H22N4O3S2 MW 526.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O3S2/c1-18-9-11-20(12-10-18)17-36-28-31-30-27(37-28)32-24(21-8-5-15-29-16-21)23(25(34)26(32)35)22(33)14-13-19-6-3-2-4-7-19/h2-16,24,34H,17H2,1H3/b14-13+InChIKey
AQIDXHJXZXUOFT-BUHFOSPRSA-NSynonyms
3hydroxy1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)4((2E)3phenylprop2enoyl)5(pyridin3yl)15dihydro2Hpyrrol2one
4HYDROXY1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)3((E)3PHENYLPROP2ENOYL)2PYRIDIN3YL2HPYRROL5ONE
CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C(C(=C(C3=O)O)C(=O)C=CC4=CC=CC=C4)C5=CN=CC=C5
Cc1ccc(cc1)CSc1nnc(s1)N1C(c2cccnc2)C(=C(C1=O)O)C(=O)C=Cc1ccccc1
InChI=1SC28H22N4O3S2c11891120(121018)173628313027(3728)3224(218515291621)23(25(34)26(32)35)22(33)1413196324719h2162434H17H21H3b1413+
MFCD05022390
ZINC000097946749
ZINC000097946750
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