Vitas-M small molecule compound
N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STK570887
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2cc(C)nc(n2)C)nc2c(c1=O)c1CCCCc1s2
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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 C27H28N6O4S3 MW 596.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N6O4S3/c1-4-13-33-26(35)24-20-7-5-6-8-21(20)39-25(24)31-27(33)38-15-23(34)30-18-9-11-19(12-10-18)40(36,37)32-22-14-16(2)28-17(3)29-22/h4,9-12,14H,1,5-8,13,15H2,2-3H3,(H,30,34)(H,28,29,32)InChIKey
LKUZSDWPXZRBPF-UHFFFAOYSA-NSynonyms
2((3allyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(4(N(26dimethylpyrimidin4yl)sulfamoyl)phenyl)acetamide
CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3CC=C
InChI=1SC27H28N6O4S3c14133326(35)2420756821(20)3925(24)3127(33)381523(34)301891119(121018)40(3637)32221416(2)2817(3)2922h491214H1581315H223H3(H3034)(H282932)
MFCD05732952
N(4((26dimethylpyrimidin4yl)sulfamoyl)phenyl)2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(4((26dimethylpyrimidin4yl)sulfamoyl)phenyl)2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000002605390
ZINC2605390
Check stock
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Check stock on Vitas-MAvailable files
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