Vitas-M small molecule compound
ethyl 2-(3-{(E)-[6-acetyl-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK675612
SMILES CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=c\1/sc2=NC(=C(C(n2c1=O)c1c(OC)ccc2c1cccc2)C(=O)C)C
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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 C38H37N3O5S2 MW 679.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H37N3O5S2/c1-7-46-37(44)33-27-14-10-11-15-29(27)47-36(33)40-20(2)18-25(22(40)4)19-30-35(43)41-34(31(23(5)42)21(3)39-38(41)48-30)32-26-13-9-8-12-24(26)16-17-28(32)45-6/h8-9,12-13,16-19,34H,7,10-11,14-15H2,1-6H3/b30-19+InChIKey
BYSXWVJIVSUMBX-NDZAJKAJSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=O)N5C(C(=C(N=C5S4)C)C(=O)C)C6=C(C=CC7=CC=CC=C76)OC)C
CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)C=c1sc2=NC(=C(C(n2c1=O)c1c(OC)ccc2c1cccc2)C(=O)C)C
ethyl2(3((E)(6acetyl5(2methoxynaphthalen1yl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carboxyl
ethyl2(3((E)(6acetyl5(2methoxynaphthalen1yl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC38H37N3O5S2c174637(44)33271410111529(27)4736(33)4020(2)1825(22(40)4)193035(43)4134(31(23(5)42)21(3)3938(41)4830)322613981224(26)161728(32)456h891213161934H710111415H216H3b3019+
MFCD01819697
ZINC000008425795
ZINC000008425797
Check stock
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