Vitas-M small molecule compound
N-{2-[(2-{[2-(4-chlorophenoxy)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STK676582
SMILES O=C(CSc1nc2c(s1)cc(cc2)NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3)NCCOc1ccc(cc1)Cl
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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 C30H28ClN5O4S4 MW 686.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28ClN5O4S4/c1-36-28(39)26-20-4-2-3-5-22(20)43-27(26)35-29(36)41-16-25(38)33-18-8-11-21-23(14-18)44-30(34-21)42-15-24(37)32-12-13-40-19-9-6-17(31)7-10-19/h6-11,14H,2-5,12-13,15-16H2,1H3,(H,32,37)(H,33,38)InChIKey
YRHBIEIFWKQQKM-UHFFFAOYSA-NSynonyms
CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NCCOC5=CC=C(C=C5)Cl)SC6=C2CCCC6
InChI=1SC30H28ClN5O4S4c13628(39)2620423522(20)4327(26)3529(36)411625(38)33188112123(1418)4430(3421)421524(37)32121340199617(31)71019h61114H2512131516H21H3(H3237)(H3338)
MFCD02110724
N(2((2((2(4chlorophenoxy)ethyl)amino)2oxoethyl)sulfanyl)13benzothiazol6yl)2((3methyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(2(2(2(4chlorophenoxy)ethylamino)2oxoethyl)sulfanyl13benzothiazol6yl)2((3methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000008426597
ZINC08426597
ZINC8426597
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